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• 3-Pyridine Carboxamide
IUPAC Name: pyridine-3-carboxamide | CAS Registry Number: 98-92-0
Synonyms: nicotinamide, niacinamide, vitamin PP, 3-Pyridinecarboxamide, Aminicotin, Amixicotyn, Papulex, Nikotinamid, Savacotyl, Endobion, Hansamid, Nicobion, vitamin B3, Benicot, Dipegyl, Pelmine, Delonin amide, Pelonin amide, Nicotililamido, Nicosylamide

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DFPAKSUCGFBDDF-UHFFFAOYSA-N

• 1-Phenyl-1-cyclopropanecarboxylic acid
IUPAC Name: 1-phenylcyclopropane-1-carboxylic acid | CAS Registry Number: 6120-95-2
Synonyms: 160075_ALDRICH, 1-Phenylcyclopropanecarboxylic acid, Cyclopropanecarboxylic acid, 1-phenyl-, EINECS 228-090-9, NSC154619, ST5406705

Molecular Formula: C10H10O2Molecular Weight: 162.185200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IWWCCNVRNHTGLV-UHFFFAOYSA-N

• 2-Acetyl-5-chlorothiophene
IUPAC Name: 1-(5-chlorothiophen-2-yl)ethanone | CAS Registry Number: 6310-09-4
Synonyms: 5-Chlor-2-acetyl thiophen, 5-Chloro-2-acetyl thiophen, 5-Chloro-2-thienyl methyl ketone, Ethanone, 1-(5-chloro-2-thienyl)-, Ketone, 5-chloro-2-thienyl methyl, 1-(5-Chloro-2-thienyl)ethanone, 247073_ALDRICH, EINECS 228-630-3, NSC 43020, 1-(5-Chloro-2-thienyl)ethan-1-one, NSC43020, BRN 0113936, ZINC00035873, BA 11044, AI3-15902, LS-87118, ST005676, 5-17-09-00391 (Beilstein Handbook Reference), AI-942/40232791, InChI=1/C6H5ClOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H

Molecular Formula: C6H5ClOSMolecular Weight: 160.621300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HTZGPEHWQCRXGZ-UHFFFAOYSA-N

• (R)-(+)-1-(1-Naphthyl)ethylamine hydrochloride
IUPAC Name: (1R)-1-naphthalen-1-ylethanamine;hydrochloride | CAS Registry Number: 82572-04-1
Synonyms: (R)-1-(Naphthalen-1-yl)ethanamine hydrochloride, SureCN7597590, 656755_ALDRICH, CTK8B7479, MolPort-003-938-394, ANW-57449, AKOS016001488, AK-87039, KB-63114

Molecular Formula: C12H14ClNMolecular Weight: 207.699260 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ZTNKTVBJMXQOBQ-SBSPUUFOSA-N

• 7-Chlorothieno[3,2-B]pyridine
IUPAC Name: 7-chlorothieno[3,2-b]pyridine | CAS Registry Number: 69627-03-8
Synonyms: 7-Chlorothieno[3,2-b]pyridine, AG-G-71213, THIENO[3,2-B]PYRIDINE, 7-CHLORO-, PubChem14685, AC1Q3HYX, SureCN104668, AC1Q3KH9, ACMC-1B4V3, AGN-PC-005SL6, CTK2F2562, AS0071W, MolPort-000-140-545, BH394, ANW-35727, AR3650, RW2815, STL319871, ZINC30677668, AKOS005264087, HP12168

Molecular Formula: C7H4ClNSMolecular Weight: 169.631360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GYQUXKQLCNFKQT-UHFFFAOYSA-N

• 6-Fluoro-4-Hydrazinoquinoline
IUPAC Name: (6-fluoroquinolin-4-yl)hydrazine | CAS Registry Number: 49612-09-1
Synonyms: 6-Fluoro-4-hydrazinoquinoline, QU114, ZINC02564387, BBV-00038648

Molecular Formula: C9H8FN3Molecular Weight: 177.178323 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IHJGCOWFOYAATP-UHFFFAOYSA-N

• 4-Fluorophenylboronic Acid
IUPAC Name: (4-fluorophenyl)boronic acid | CAS Registry Number: 1765-93-1
Synonyms: 4-Fluorophenylboronic acid, 4-Fluorobenzeneboronic acid, Phenylboronic Acid, 7, p-fluorophenylboronic acid, (4-fluorophenyl)boronic acid, p-fluorobenzeneboronic acid, (4-fluorophenyl)boranediol, (4-fluorophenyl)dihydroxyborane, 417556_ALDRICH, CHEBI:48661, BM034, ALBB-006109, NSC142683, AC 33410, TL8001403

Molecular Formula: C6H6BFO2Molecular Weight: 139.920043 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LBUNNMJLXWQQBY-UHFFFAOYSA-N

• 4-Bromo benzonitrile
IUPAC Name: 4-bromobenzonitrile | CAS Registry Number: 623-00-7
Synonyms: p-Bromobenzonitrile, 4-BROMOBENZONITRILE, Benzonitrile, 4-bromo-, Benzonitrile, p-bromo-, 1-Bromo-4-cyanobenzene, WLN: NCR DE, B58407_ALDRICH, Benzonitrile, p-bromo- (8CI), NSC 3978, EINECS 210-764-9, NSC3978, ZINC00164599, AI3-00488, LS-38647, TL806447, ST5406341, AH-034/32461003, InChI=1/C7H4BrN/c8-7-3-1-6(5-9)2-4-7/h1-4

Molecular Formula: C7H4BrNMolecular Weight: 182.017360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HQSCPPCMBMFJJN-UHFFFAOYSA-N

• 1-Cyclopropyl-1,3-butanedione
IUPAC Name: 1-cyclopropylbutane-1,3-dione | CAS Registry Number: 21573-10-4
Synonyms: 1-cyclopropylbutane-1,3-dione, 1-Cyclopropyl-1,3-Butandione, zlchem 1163, PubChem21009, SureCN221424, KSC492M0D, 1-Cyclopropyl-1,3-butanedione;, CTK3J2601, ZLD0632, MolPort-011-492-110, ANW-44285, ZINC21304114, AKOS009265119, AG-E-58089, RP08874, AK-84405, KB-152635, AM20090193, BB 0262839, FT-0659532

Molecular Formula: C7H10O2Molecular Weight: 126.153100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KLCGMDWRXACELA-UHFFFAOYSA-N

• 2,5-Dichloronitrobenzene
IUPAC Name: 1,4-dichloro-2-nitrobenzene | CAS Registry Number: 89-61-2
Synonyms: Nitro-p-dichlorobenzene, 2,5-DICHLORONITROBENZENE, 2,5-Dichloronitrobenzol, 1,4-Dichloro-2-nitrobenzene, 2,5-Dichlornitrobenzen, 1-Nitro-2,5-dichlorobenzene, Benzene, 1,4-dichloro-2-nitro-, Benzene, 2,5-dichloronitro-, WLN: WNR CG EG, CCRIS 3096, 2,5-Dichlornitrobenzen [Czech], 225371_ALDRICH, 36572_RIEDEL, 36040_FLUKA, EINECS 201-923-3, NSC6294, NSC 406125, BRN 0778109, NSC406125, ZINC01693389

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RZKKOBGFCAHLCZ-UHFFFAOYSA-N

• 3,4-Dichloronitrobenzene
IUPAC Name: 1,2-dichloro-4-nitrobenzene | CAS Registry Number: 99-54-7
Synonyms: DCNB, 1,2-Dichloro-4-nitrobenzene, 3,4-DICHLORONITROBENZENE, 1-Nitro-3,4-dichlorobenzene, Ambap312, Benzene, 1,2-dichloro-4-nitro-, 3,4-Dichlornitrobenzen, WLN: WNR CG DG, CCRIS 3097, D68800_ALDRICH, 3,4-Dichlornitrobenzen [Czech], asym.-Nitro-o-dichlorobenzene, HSDB 4252, 3,4-Dichloronitrobenzen [Czech], 35831_RIEDEL, NSC 6295, AI3-03268 (USDA), EINECS 202-764-2, CID7443, NSC6295

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NTBYINQTYWZXLH-UHFFFAOYSA-N

• 3-Phenylpropionitrile
IUPAC Name: heptanenitrile | CAS Registry Number: 629-08-3
Synonyms: Heptanonitrile, Hexyl cyanide, Enanthonitrile, HEPTANENITRILE, 1-Cyanohexane, Heptane nitrile, n-Heptanenitrile, Heptane-1-nitrile, 404896_ALDRICH, NSC 2172, EINECS 211-071-4, NSC2172, CID12372, AI3-28301, BBV-213301, LS-195273, TL8004314, 1885-40-1, 73833-76-8, CNX

Molecular Formula: C7H13NMolecular Weight: 111.184820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SDAXRHHPNYTELL-UHFFFAOYSA-N

• 2-Fluoro-6-methoxyphenylboronic Acid
IUPAC Name: (2-fluoro-6-methoxyphenyl)boronic acid | CAS Registry Number: 78495-63-3
Synonyms: 512761_ALDRICH, 2-Fluoro-6-methoxyphenylboronic acid, F3240G1

Molecular Formula: C7H8BFO3Molecular Weight: 169.946023 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XOVMDVZAWWQSDC-UHFFFAOYSA-N

• 4-Fluoro-3-methylphenylboronic Acid
IUPAC Name: (4-fluoro-3-methylphenyl)boronic acid | CAS Registry Number: 139911-27-6
Synonyms: Ambap4056, 4-Fluoro-3-methylphenylboronic acid, 483567_ALDRICH, 4-Fluoro-3-methylbenzeneboronic acid, CID2774580, F3320G1, TL8000898, AN-967/25120030

Molecular Formula: C7H8BFO2Molecular Weight: 153.946623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JCIJCHSRVPSOML-UHFFFAOYSA-N

• 3-Methylsulfonyl benzoic acid
IUPAC Name: (6Z)-6-[[4-(1H-benzimidazol-2-yl)anilino]methylidene]-4,5-dibromo-2-ethoxycyclohexa-2,4-dien-1-one | CAS Registry Number: 5345-27-7
Synonyms: BAS 00413825, 2-{[4-(1H-Benzoimidazol-2-yl)-phenylimino]-methyl}-3,4-dibromo-6-ethoxy-phenol

Molecular Formula: C22H17Br2N3O2Molecular Weight: 515.197280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: SGAAUICEAOBKOY-NTCAYCPXSA-N

• 5-Bromooxindole
IUPAC Name: 5-bromo-1,3-dihydroindol-2-one | CAS Registry Number: 20870-78-4
Synonyms: 5-Bromoindalin-2-on, 5-Bromo-2-oxindole, 586552_ALDRICH, CID611193, SBB005897, ZINC02565584, B2079G1, 5-Bromo-1,3-dihydro-2H-indol-2-one, TL8006280, B-8958

Molecular Formula: C8H6BrNOMolecular Weight: 212.043340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VIMNAEVMZXIKFL-UHFFFAOYSA-N

• 2,3-Dimethylacetophenone
IUPAC Name: 1-(2,3-dimethylphenyl)ethanone | CAS Registry Number: 2142-71-4
Synonyms: 1-(2,3-Dimethylphenyl)ethanone, 2',3'-DIMETHYLACETOPHENONE, 2,3-(CH3)=C6H3-COCH3, CID16505

Molecular Formula: C10H12OMolecular Weight: 148.201680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YXJIYJZHAPHBHG-UHFFFAOYSA-N

• 5-Chloro-2-nitrobenzoic acid
IUPAC Name: 5-chloro-2-nitrobenzoic acid | CAS Registry Number: 2516-95-2
Synonyms: Ambap4541, Benzoic acid, 5-chloro-2-nitro-, 5-CHLORO-2-NITROBENZOIC ACID, C60201_ALDRICH, 6-Nitro-3-chlorobenzoic acid, NSC59735, CID17286, EINECS 219-738-1, NSC 59735, SBB009922, TL80074060, C-5220, InChI=1/C7H4ClNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ZKUYSJHXBFFGPU-UHFFFAOYSA-N

• (S)-(-)-1-(1-Naphthyl)ethylamine
IUPAC Name: (1S)-1-naphthalen-1-ylethanamine | CAS Registry Number: 10420-89-0
Synonyms: 237450_ALDRICH, 70712_FLUKA, 70713_FLUKA, (S)-1-(naphthalen-1-yl)ethanamine, (S)-alpha-Methyl-1-naphthalenemethanamine, AI3-26858, TL80073728, (S)-(−)-1-(1-Naphthyl)ethylamine, 1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-, 1-Naphthalenemethanamine, alpha-methyl-, (S)-(-)-, (S)-(−)-alpha-Methyl-1-naphthalenemethylamine

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RTCUCQWIICFPOD-VIFPVBQESA-N

• 7-(4-Ethyl-1-methyloctyl)-8-hydroxyquinoline
IUPAC Name: 7-(5-ethylnonan-2-yl)quinolin-8-ol | CAS Registry Number: 73545-11-6
Synonyms: EINECS 277-531-1, CID166430, 7-(4-Ethyl-1-methyloctyl)-8-quinolinol, 7-(4-Ethyl-1-methyloctyl)quinolin-8-ol, 7-(4-ethyl-1-methyloctyl)-8-hydroxy-quinoline, 8-Quinolinol, 7-(4-ethyl-1-methyloctyl)-

Molecular Formula: C20H29NOMolecular Weight: 299.450360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YWACCMLWVBYNHR-UHFFFAOYSA-N

• 4-(2-Bromoacetyl)benzonitrile
IUPAC Name: 4-(2-bromoacetyl)benzonitrile | CAS Registry Number: 20099-89-2
Synonyms: 4-Cyanophenacyl bromide, p-Cyanophenacyl bromide, Benzonitrile, 4-(bromoacetyl)-, 2-Bromo-4'-cyanoacetophenone, 539392_ALDRICH, NSC157569, STK279014, ZINC00166064, NSC 157569, FS000853, TL8001657

Molecular Formula: C9H6BrNOMolecular Weight: 224.054040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LJANCPRIUMHGJE-UHFFFAOYSA-N

• (L)-Pipecolic acid
IUPAC Name: piperidine-2-carboxylic acid | CAS Registry Number: 3105-95-1
Synonyms: Pipecolic acid, Homoproline, Pipecolinic acid, pipecolate, Dihydrobaikiane, l-Pipecolic acid, L-pipecolate, Piperolinic acid, homopipecolic acid, Hexahydropicolinic acid, Pipecolic acid, L-, L-Pipecolinic acid, 2-PIPERIDINECARBOXYLIC ACID, DL-Pipecolinic acid, .alpha.-Pipecolinic acid, Acide pipecolique [French], Pipecolic acid free base, Pipecolic acid, L-(-)-, Pipecolic acid, (S)-(-)-, pipecolic acid, ion (1-)

Molecular Formula: C6H11NO2Molecular Weight: 129.157040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HXEACLLIILLPRG-UHFFFAOYSA-N

• 5-Bromothiophene-2-sulphonyl chloride
IUPAC Name: 5-bromothiophene-2-sulfonyl chloride | CAS Registry Number: 55854-46-1
Synonyms: 636223_ALDRICH, 5-Bromothiophene-2-sulfonyl chloride, ALBB-000203, 5-Bromo-2-thiophenesulfonyl chloride, SBB003086, TL8006962

Molecular Formula: C4H2BrClO2S2Molecular Weight: 261.544480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WGYBIEOLAFYDEC-UHFFFAOYSA-N

• (S)-N-(tert-Butoxycarbonyl)-tert-leucine
IUPAC Name: (2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate | CAS Registry Number: 62965-35-9
Synonyms: ZINC02169514, ZINC02169515, CID7005055

Molecular Formula: C11H20NO4-Molecular Weight: 230.280800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: LRFZIPCTFBPFLX-SSDOTTSWSA-M

• 4-(Trifluoromethoxy)nitrobenzene
IUPAC Name: 1-nitro-4-(trifluoromethoxy)benzene | CAS Registry Number: 713-65-5
Synonyms: 1-Nitro-4-(trifluoromethoxy)benzene, ZERO/001419, 1-Nitro-4-trifluoromethoxy-benzene, ZINC00081468, Alpha,alpha,alpha-trifluoro-4'-nitroanisole, D1054

Molecular Formula: C7H4F3NO3Molecular Weight: 207.106770 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: UBEIKVUMDBCCRW-UHFFFAOYSA-N

• 3-Hydroxy-6-MethylPyridine
IUPAC Name: 6-methylpyridin-3-ol | CAS Registry Number: 1121-78-4
Synonyms: 6-Methyl-3-pyridinol, 2-Methyl-5-hydroxypyridine, 3-Pyridinol, 6-methyl-, 6-Methylpyridin-3-ol, 5-Hydroxy-2-methylpyridine, 6-Methyl-3-hydroxypyridine, 3-HYDROXY-6-METHYLPYRIDINE, 107263_ALDRICH, EINECS 214-337-8, NSC 27963, NSC27963, BRN 0107077, SBB004349, ZINC00331651, H179, LS-133011, TL8000354, 5-21-02-00139 (Beilstein Handbook Reference), AC-907/25014124

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DHLUJPLHLZJUBW-UHFFFAOYSA-N

• 3-Nitro-4-Amino Phenol
IUPAC Name: 4-amino-3-nitrophenol | CAS Registry Number: 610-81-1
Synonyms: 3-Nitro-4-aminophenol, 4-Amino-3-nitrophenol, 4-Hydroxy-2-nitroaniline, Phenol, 4-amino-3-nitro, Phenol, 4-amino-3-nitro-, 249319_ALDRICH, 08935_FLUKA, NSC400380, EINECS 210-236-8, ZINC04262549, CID3758882, NSC 400380, TL8003868

Molecular Formula: C6H6N2O3Molecular Weight: 154.123440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IQXUIDYRTHQTET-UHFFFAOYSA-N

• 1-Cyano-1-cyclopropanecarboxylic acid
IUPAC Name: 1-cyanocyclopropane-1-carboxylic acid | CAS Registry Number: 6914-79-0
Synonyms: 1-cyanocyclopropanecarboxylic acid, 343390_ALDRICH, ALBB-005922, SBB006670

Molecular Formula: C5H5NO2Molecular Weight: 111.098700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KSJJMSKNZVXAND-UHFFFAOYSA-N

• 3-(N-Phenyl-N-methyl)aminoacrolein
IUPAC Name: (E)-3-(N-methylanilino)prop-2-enal | CAS Registry Number: 14189-82-3
Synonyms: 34900-01-1, AG-D-83182, N-METHYL-N-PHENYL-3-AMINOACROLEIN, MolPort-005-938-438, trans 3-(N-Methylanilino)acrolein, SBB064106, ZINC02556482, AKOS006275202, (E)-3-(Methylphenylamino)-2-propenal, 3-N-METHYL-N-PHENYLAMINOACROLEINI, (E)-3-(methyl(phenyl)amino)acrylaldehyde, AC-20069, KB-27703, U448, FT-0656451, FT-0671337, I01-4021

Molecular Formula: C10H11NOMolecular Weight: 161.200440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YLMOTKLYENPQLK-VMPITWQZSA-N

• 2,2-Dibromoheptanitrile
IUPAC Name: 2,2-dibromoheptanenitrile | CAS Registry Number: 60623-74-7
Synonyms: 2,2-DIBROMOHEPTANENITRILE, Heptanenitrile,2,2-dibromo-, SCHEMBL11822285, ZINC95869779, LP095723, OR033471, J-802046

Molecular Formula: C7H11Br2NMolecular Weight: 268.980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AAKAUBPKRRQJLY-UHFFFAOYSA-N

• 4-Bromo-5-Methyl-2-NitroPhenol
IUPAC Name: 4-bromo-5-methyl-2-nitrophenol | CAS Registry Number: 182500-28-3
Synonyms: 4-bromo-5-methyl-2-nitrophenol, ACMC-209yc4, SureCN305380, CTK4D8216, ANW-48770, AKOS015890743, AG-I-03310, RP27986, AK-50977, BR-50977, KB-125218, AM20030208, FT-0694698, W3963, A116088, I01-8011

Molecular Formula: C7H6BrNO3Molecular Weight: 232.031440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DNYRLBZBDGVLHF-UHFFFAOYSA-N

• 3-Oxabicyclo[3.1.0]hexane-2,4-Dione
IUPAC Name: 3-oxabicyclo[3.1.0]hexane-2,4-dione | CAS Registry Number: 5617-74-3
Synonyms: 3-Oxabicyclo[3.1.0]hexane-2,4-dione, AG-F-97045, oxabicyclohexanedione, PubChem18320, AC1MC1S2, AC1Q6H8O, 391174_ALDRICH, CTK1H4034, MolPort-001-757-212, ANW-45838, 1,2-Cyclopropanedicarboxylic anhydride, AKOS005073480, MCULE-2570796017, MS-1982, RP09617, 1,2-Cyclopropanedicarboxylic anhydride;, 2,4-Dioxo-3-oxabicyclo[3.1.0]hexane, AK-38223, BP-12743, KB-33059

Molecular Formula: C5H4O3Molecular Weight: 112.083460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZRMYHUFDVLRYPN-UHFFFAOYSA-N

• 2,3-Pyrazine Dicarboxylic Acid
IUPAC Name: pyrazine-2,3-dicarboxylic acid | CAS Registry Number: 89-01-0
Synonyms: 2,3-Pyrazinedicarboxylic acid, 2,3-Dicarboxypyrazine, Pyrazine-2,3-dicarboxylate, Pyrazine-2,3-dicarboxylic acid, Maybridge1_001780, P56208_ALDRICH, NSC1908, NSC 1908, EINECS 201-875-3, AIDS012682, AIDS-012682, BRN 0147982, NCI60_001592, LS-127602, ST5160363, TL8005761, P-8100, 5-25-05-00383 (Beilstein Handbook Reference), SR-01000635503-1

Molecular Formula: C6H4N2O4Molecular Weight: 168.106960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZUCRGHABDDWQPY-UHFFFAOYSA-N

• 3,4-Difluoronitrobenzene
IUPAC Name: 1,2-difluoro-4-nitrobenzene | CAS Registry Number: 369-34-6
Synonyms: 1,2-Difluoro-4-nitrobenzene, Ambap1719, Benzene, 1,2-difluoro-4-nitro-, 288365_ALDRICH, EINECS 206-718-2, BRN 1944996, ZINC00152925, D129, LS-29842, TL8002726, 4-05-00-00720 (Beilstein Handbook Reference)

Molecular Formula: C6H3F2NO2Molecular Weight: 159.090326 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RUBQQRMAWLSCCJ-UHFFFAOYSA-N

• 3,5-Dinitrobenzoic Acid
IUPAC Name: 3,5-dinitrobenzoic acid | CAS Registry Number: 99-34-3
Synonyms: Dinitrobenzoic acid, DNBA, 3,5-DINITROBENZOIC ACID, Benzoic acid, 3,5-dinitro-, 3-Carboxy-1,5-dinitrobenzene, CCRIS 3129, NCIOpen2_008996, 121258_ALDRICH, NSC 8732, EINECS 202-751-1, CID7433, NSC8732, SBB007840, AI3-01801, LS-37275, TL806408, ST5308043, BENZOIC ACID,3,5-DINITRO MFC7 H4 N2 O6, 57542-56-0, 64582-71-4

Molecular Formula: C7H4N2O6Molecular Weight: 212.116460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: VYWYYJYRVSBHJQ-UHFFFAOYSA-N

• (S)-(-)-tert-Butanesulfinamide
IUPAC Name: 2-methylpropane-2-sulfinamide | CAS Registry Number: 146374-27-8
Synonyms: 2-methylpropane-2-sulfinamide, 2-Methyl-2-propanesulfinamide, t-Butylsulfinamide, tert-Butylsulfinamide, tert-butanesulfinamide, 2-Methyl-propane-2-sulfinic acid amide, TERT-BUTYL SULFINAMIDE, (+/-)-tert-Butyl sulfinamide, 2-Propanesulfinamide, 2-methyl, AG-D-90695, (S)-tert-butanesulfinamide, (r)-2-methylpropane-2-sulfinamide, tert-butylsulphinamide, PubChem9911, ACMC-1CSOX, ACMC-209f0n, ACMC-209i6s, AC1MPB85, KSC497C7H, AGN-PC-007FY8

Molecular Formula: C4H11NOSMolecular Weight: 121.201240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CESUXLKAADQNTB-UHFFFAOYSA-N

• 4-Nitrophenethyl bromide
IUPAC Name: 1-(2-bromoethyl)-4-nitrobenzene | CAS Registry Number: 5339-26-4
Synonyms: p-Nitrophenethyl bromide, 4-nitrophenyl-ethyl-bromide, 1-(2-Bromoethyl)-4-nitrobenzene, 2-(4-Nitrophenyl)ethyl bromide, 4-(2-Bromoethyl)nitrobenzene, .beta.-(p-Nitrophenyl)ethyl bromide, 115053_ALDRICH, Benzene, 1-(2-bromoethyl)-4-nitro-, 73614_FLUKA, NSC3493, EINECS 226-271-7, NSC100730, ZINC01666812, FS000341, C110057, InChI=1/C8H8BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H, NPB

Molecular Formula: C8H8BrNO2Molecular Weight: 230.058620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NTURQZFFJDCTMZ-UHFFFAOYSA-N

• 3,3',5,5'-Tetrachloro diphenyl disulfide
IUPAC Name: 1,3-dichloro-5-[(3,5-dichlorophenyl)disulfanyl]benzene | CAS Registry Number: 137897-99-5
Synonyms: Bis(3,5-dichlorophenyl) disulfide, Bis-3,5-Dichlorophenyl disulfide, 3,3',5,5'-Tetrachlorodiphenyl Disulfide, 1,3-dichloro-5-[(3,5-dichlorophenyl)disulfanyl]benzene, 3,3 ,5,5 -tetrachlorodiphenyl disulfide, ZINC02386574, PubChem15301, AC1MC3HM, ACMC-209td9, 541826_ALDRICH, CTK3J0499, Bis(3,5-Dichlorophenyl)disulphide, Disulfide,bis(3,5-dichlorophenyl), ANW-42331, OR0771, AKOS015898595, AC-13314, TL8006836, FT-0614003, I09-1409

Molecular Formula: C12H6Cl4S2Molecular Weight: 356.118040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JMQANWHMOHXBEA-UHFFFAOYSA-N

• 1-(Mercaptomethyl)cyclopropyl acetic acid
IUPAC Name: 2-[1-(sulfanylmethyl)cyclopropyl]acetic acid | CAS Registry Number: 162515-68-6
Synonyms: 2-[1-(Mercaptomethyl)cyclopropyl]acetic acid, 1-(Mercaptomethyl)cyclopropaneacetic Acid, SBB053445, AG-E-12320, 1-(Mercaptomethyl)cyclopropaneaceticacid, 1-(Mercaptomethyl)-Cyclopropaneacetic Acid, 2-(1-(mercaptomethyl)cyclopropyl)acetic acid, 2-[(sulfanylmethyl)cyclopropyl]acetic acid, ACMC-209doh, UNII-1X00T93WYX, KSC174S2B, Jsp003256, CTK0H4920, MolPort-001-767-786, AMX10105, ANW-21999, AKOS006379354, AM84551, MCULE-2805511819, 1-(Mercaptomethyl)cyclopropylacetic acid

Molecular Formula: C6H10O2SMolecular Weight: 146.207400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: VFAXPOVKNPTBTM-UHFFFAOYSA-N

• 3-Azabicyclo[3.1.0]hexane-2-carboxylic acid
IUPAC Name: (1R,2S,5S)-3-azoniabicyclo[3.1.0]hexane-2-carboxylate | CAS Registry Number: 22255-16-9
Synonyms: ZINC03884558, CID11869789

Molecular Formula: C6H9NO2Molecular Weight: 127.141160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JBDOTWVUXVXVDR-WDCZJNDASA-N

• 2-Bromo-4-cyanophenol
IUPAC Name: 3-bromo-4-hydroxybenzonitrile | CAS Registry Number: 2315-86-8
Synonyms: 3-Bromo-4-hydroxybenzonitrile, 652563_ALDRICH, ZINC00157220, CID75341, EINECS 219-022-9, SBB005818, FR-2151

Molecular Formula: C7H4BrNOMolecular Weight: 198.016760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HLHNOIAOWQFNGW-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)cyclobutanecarbonitrile
IUPAC Name: 1-(4-chlorophenyl)cyclobutane-1-carbonitrile | CAS Registry Number: 28049-61-8
Synonyms: 160008_ALDRICH, NSC154613, CID98621, EINECS 248-799-7, ZINC00388379, ST5405608, 1-(4-Chlorophenyl)-1-cyclobutanecarbonitrile

Molecular Formula: C11H10ClNMolecular Weight: 191.656800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XQONXPWVIZZJIL-UHFFFAOYSA-N

• 2-Acetyl-5-Methylfuran
IUPAC Name: 1-(5-methylfuran-2-yl)ethanone | CAS Registry Number: 1193-79-9
Synonyms: 2-ACETYL-5-METHYLFURAN, 2-Acetyl-5-methyl-furan, 1-(5-Methyl-2-furyl)ethanone, Ethanone, 1-(5-methyl-2-furanyl)-, 5-Methyl-2-furylmethylketone, Furan, 2-acetyl-5-methyl-, FEMA No. 3609, Methyl 5-methyl-2-furyl ketone, W360902_ALDRICH, 1-(5-Methyl-2-furanyl)ethanone, Ketone, methyl 5-methyl-2-furyl, 299553_ALDRICH, EINECS 214-779-1, 1-(5-Methyl-2-furyl)ethan-1-one, NSC 80404, AIDS342167, AIDS-342167, ALBB-002841, NSC80404, BRN 0110853

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KEFJLCGVTHRGAH-UHFFFAOYSA-N

• 2-Amino-5-Chloro Benzothiazole
IUPAC Name: 5-chloro-1,3-benzothiazol-2-amine | CAS Registry Number: 20358-00-3
Synonyms: 2-Amino-5-chlorobenzothiazole, 2-Benzothiazolamine, 5-chloro-, 5-Chloro-benzothiazol-2-ylamine, NSC 56970, BENZOTHIAZOLE, 2-AMINO-5-CHLORO-, NSC56970, ZERO/008548, 5-chloro-1,3-benzothiazol-2-amine, ZINC01676766, 2-Benzothiazolamine, 5-chloro- (9CI), ASN 00466316, LS-40663

Molecular Formula: C7H5ClN2SMolecular Weight: 184.646000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AVVSRALHGMVQQW-UHFFFAOYSA-N

• 4-(Methyl amino)-Benzoic Acid
IUPAC Name: 4-(methylamino)benzoic acid | CAS Registry Number: 10541-83-0
Synonyms: p-Methylaminobenzoic acid, 4-Methylaminobenzoic acid, Benzoic acid, 4-(methylamino)-, p-(Methylamino)benzoic acid, Maybridge3_003350, 4-(Methylamino)benzoic acid, N-Methyl-4-aminobenzoate, Benzoic acid, p-(methylamino)-, N-Methyl-4-aminobenzoic acid, 4-(N-Methylamino)benzoic acid, Oprea1_065286, 119695_ALDRICH, AIDS020030, AIDS-020030, EINECS 234-121-7, JFD 03586, NSC102506, NSC 102506, Benzoic acid, p-(methylamino)- (8CI), IDI1_014737

Molecular Formula: C8H9NO2Molecular Weight: 151.162560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZVIDMSBTYRSMAR-UHFFFAOYSA-N

• 5-Amino-3,4-DimethylIsoxazole
IUPAC Name: 3,4-dimethyl-1,2-oxazol-5-amine | CAS Registry Number: 19947-75-2
Synonyms: 5-Isoxazolamine, 3,4-dimethyl-, 5-Amino-3,4-dimethylisoxazole, 280240_ALDRICH, 3,4-Dimethylisoxazol-5-ylamine, 5-Amino-3,4-dimethyl-isoxazole, EINECS 243-437-4, NSC143787, ZINC00164496, 5-AMINO-3,4-DIMETHYL ISOXAZOLE, AI3-34642, ST5146743

Molecular Formula: C5H8N2OMolecular Weight: 112.129820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PYNDWPFZDQONDV-UHFFFAOYSA-N

• 2,3-Dihydrofuran
IUPAC Name: 2,3-dihydrofuran | CAS Registry Number: 1191-99-7
Synonyms: 4,5-Dihydrofuran, Furan, 2,3-dihydro-, 200018_ALDRICH, CHEBI:51662, 2,3-DHF, ZINC01752336, CID70934, NSC85221, EINECS 214-747-7, NSC 85221, InChI=1/C4H6O/c1-2-4-5-3-1/h1,3H,2,4H, 27535-65-5, 36312-17-1

Molecular Formula: C4H6OMolecular Weight: 70.089840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JKTCBAGSMQIFNL-UHFFFAOYSA-N

• 3-Nitropropiophenone
IUPAC Name: 1-(3-nitrophenyl)propan-1-one | CAS Registry Number: 17408-16-1
Synonyms: m-Nitropropiophenone, 3'-Nitropropiophenone, (3'-Nitropropiophenone), 130761_ALDRICH, EINECS 241-435-8, NSC142328, ZINC01726769, ST5406940

Molecular Formula: C9H9NO3Molecular Weight: 179.172660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VSPOTMOYDHRALZ-UHFFFAOYSA-N

• 1-Aminocyclopropane-1-Carboxylic Acid
IUPAC Name: 1-aminocyclopropane-1-carboxylic acid | CAS Registry Number: 22059-21-8
Synonyms: acpc, 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, Ambap1703, Spectrum_001270, SpecPlus_000710, Spectrum2_001475, Spectrum3_001515, Spectrum4_000771, Spectrum5_001755, Lopac-A-0430, Biomol-NT_000194, Cyclopropanecarboxylic acid, 1-amino-, 1-aminocyclopropane-1-carboxylate, CPD-68, Lopac0_000072, BSPBio_003189, KBioGR_001182, KBioSS_001750, 1-Amino-1-carboxycyclopropane

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PAJPWUMXBYXFCZ-UHFFFAOYSA-N

• 4-Aminophenylacetonitrile
IUPAC Name: 2-(4-aminophenyl)acetonitrile | CAS Registry Number: 3544-25-0
Synonyms: 4-Aminobenzyl cyanide, p-Aminobenzyl cyanide, (p-Aminophenyl)acetonitrile, (4-aminophenyl)acetonitrile, A42050_ALDRICH, AIDS020222, AIDS-020222, EINECS 222-587-4, SBB004218, ZINC00152526, InChI=1/C8H8N2/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5,10H, 3457-99-6

Molecular Formula: C8H8N2Molecular Weight: 132.162520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YCWRFIYBUQBHJI-UHFFFAOYSA-N


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