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• 1,1'-Carbonyldi (1,2,4-triazole)
IUPAC Name: bis(1,2,4-triazol-1-yl)methanone | CAS Registry Number: 41864-22-6
Synonyms: 1,1'-Carbonyl-di-(1,2,4-triazole), 1,1'-Carbonyldi(1,2,4-triazole), 1,1'-CARBONYL-DI(1,2,4-TRIAZOLE), Bis-[1,2,4]triazol-1-yl-methanone, AG-F-48773, Bis(1,2,4-triazol-1-yl)methanone, SureCN83387, ACMC-209jm4, AC1NA03G, KSC490O6D, 21861_ALDRICH, 21861_FLUKA, CTK3J0761, MolPort-003-927-982, ANW-29690, WTI-10577, ZINC02584455, 1,1'-Carbonylbis(1,2,4-triazole), AKOS015909898, RP22683

Molecular Formula: C5H4N6OMolecular Weight: 164.124860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: YHNUDLCUIKMNSN-UHFFFAOYSA-N

• 1,6-Dibromohexane
IUPAC Name: 1,6-dibromohexane | CAS Registry Number: 629-03-8
Synonyms: Hexamethylene dibromide, 1,6-Dibromo-n-hexane, 1,6-Dibromohexan, alpha,omega-Dibromohexane, HEXANE, 1,6-DIBROMO-, 1,6-Dibromohexan [German], WLN: E6E, D41007_ALDRICH, 1,6-Dibromohexan [German], NSC 7306, 34191_FLUKA, EINECS 211-067-2, NSC7306, CID12368, BRN 1236322, AI3-11008, LS-75065, TL8004310, 4-01-00-00354 (Beilstein Handbook Reference), InChI=1/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H

Molecular Formula: C6H12Br2Molecular Weight: 243.967480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: SGRHVVLXEBNBDV-UHFFFAOYSA-N

• 2-Aminophenol-4-(N-methyl)sufonamide
IUPAC Name: 3-amino-4-hydroxy-N-methylbenzenesulfonamide hydrochloride | CAS Registry Number: 85237-56-5
Synonyms: EINECS 286-416-5, CID3020559, 3-Amino-4-hydroxy-N-methylbenzenesulphonamide monohydrochloride

Molecular Formula: C7H11ClN2O3SMolecular Weight: 238.691840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 5

InChIKey: GHHAVLSLVYARGK-UHFFFAOYSA-N

• 2,6-Dichlorobenzyl Chloride
IUPAC Name: 1,3-dichloro-2-(chloromethyl)benzene | CAS Registry Number: 2014-83-7
Synonyms: 2,6-Dichlorobenzyl chloride, alpha,2,6-Trichlorotoluene, T56308_ALDRICH, Toluene, .alpha.,2,6-trichloro-, .alpha.,2,6-Trichlorotoluene, 1,3-Dichloro-2-(chloromethyl)benzene, NSC86116, EINECS 217-940-4, NSC 86116, BENZENE, 1,3-DICHLORO-2-(CHLOROMETHYL)-, Toluene, alpha,2,6-trichloro- (8CI), ST5214112, Benzene, 1,3-dichloro-2-(chloromethyl)- (9CI), InChI=1/C7H5Cl3/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H

Molecular Formula: C7H5Cl3Molecular Weight: 195.473600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LBOBESSDSGODDD-UHFFFAOYSA-N

• 1-2(-Hydroxy Ethyl) Piperazine
IUPAC Name: 2-piperazin-1-ylethanol | CAS Registry Number: 103-76-4
Synonyms: 2-Piperazinoethanol, 1-Piperazinethanol, Hydroxyethylpiperazine, 1-PIPERAZINEETHANOL, 2-Hydroxyethylpiperazine, 2-Piperazin-1-ylethanol, 1-(2-Hydroxyethyl)piperazine, Piperazine-1-ethanol, 2-(1-Piperazinyl)ethanol, USAF DO-22, N-(2-Hydroxyethyl)piperazine, 4-(2-Hydroxyethyl)piperazine, Ethanol, 2-(1-piperazinyl)-, (.beta.-Hydroxyethyl)piperazine, N-(Hydroxyethyl)piperazine, CCRIS 6687, N-(beta-Hydroxyethyl)piperazine, 1-(beta-Hydroxyethyl)piperazine, H28807_ALDRICH, WLN: T6M DNTJ D2Q

Molecular Formula: C6H14N2OMolecular Weight: 130.188160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WFCSWCVEJLETKA-UHFFFAOYSA-N

• 1-Penten-3-ol
IUPAC Name: pent-1-en-3-ol | CAS Registry Number: 616-25-1
Synonyms: Ethyl vinyl carbinol, 1-PENTEN-3-OL, Vinyl ethyl carbinol, 1-Pentene-3-ol, 1-Ethylallyl alcohol, 1-penten-3-ol (E), alpha-Ethylallyl alcohol, P8602_ALDRICH, W358401_ALDRICH, FEMA No. 3584, 77010_FLUKA, CID12020, NSC65446, EINECS 210-472-1, NSC 65446, AI3-28606, TL8003909, 67928-92-1

Molecular Formula: C5H10OMolecular Weight: 86.132300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VHVMXWZXFBOANQ-UHFFFAOYSA-N

• 2-Bromoethanesulfonic acid sodium salt
IUPAC Name: sodium 2-bromoethanesulfonate | CAS Registry Number: 4263-52-9
Synonyms: Sodium bromoethylsulfonate, Sodium 2-bromoethanesulfonate, Sodium 2-bromoethanesulphonate, 137502_ALDRICH, 16151_FLUKA, NSC 447, CID77948, EINECS 224-244-4, 2-Bromoethanesulfonic acid, sodium salt, AI3-52298, Ethanesulfonic acid, 2-bromo-, sodium salt, TL8003027, 2-BROMOETHANESULFONIC ACID, NA. SALT, B-8000, 26978-65-4, 61829-40-1

Molecular Formula: C2H4BrNaO3SMolecular Weight: 211.010130 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HNFOAHXBHLWKNF-UHFFFAOYSA-M

• 15-Hydroxypentadecanoic Acid
IUPAC Name: 15-hydroxypentadecanoate | CAS Registry Number: 4617-33-8
Synonyms: 15-hydroxypentadecanoate, ZINC04284502, CPD-11594, CID7168225

Molecular Formula: C15H29O3-Molecular Weight: 257.388960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BZUNJUAMQZRJIP-UHFFFAOYSA-M

• 2-Aminobenzotrifluoride
IUPAC Name: 2-(trifluoromethyl)aniline | CAS Registry Number: 88-17-5
Synonyms: o-Aminobenzotrifluoride, o-Trifluoromethylaniline, o-(Trifluoromethyl)aniline, Benzenamine, 2-(trifluoromethyl)-, 2-Trifluoromethylaniline, 2-(TRIFLUOROMETHYL)ANILINE, 2-(Trifluoromethyl)benzenamine, CCRIS 2811, A41607_ALDRICH, alpha,alpha,alpha-Trifluoro-o-toluidine, 07040_FLUKA, EINECS 201-806-7, CID6922, NSC 10336, UN2942, NSC10336, SBB003955, ZINC00157590, AI3-26182, FR-0662

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VBLXCTYLWZJBKA-UHFFFAOYSA-N

• 1,3,5-Tribromobenzene
IUPAC Name: 1,3,5-tribromobenzene | CAS Registry Number: 626-39-1
Synonyms: 1,3,5-TRIBROMOBENZENE, Benzene, 1,3,5-tribromo-, NCIOpen2_008123, 140066_ALDRICH, NSC62439, 90715_FLUKA, EINECS 210-947-3, NSC 62439, CID12279, AI3-15483, LS-32209, TL806114, ST5406609, InChI=1/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3

Molecular Formula: C6H3Br3Molecular Weight: 314.800020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YWDUZLFWHVQCHY-UHFFFAOYSA-N

• 2,6-Dimercapto Purine
IUPAC Name: 3,7-dihydropurine-2,6-dithione | CAS Registry Number: 5437-25-2
Synonyms: Dithioxanthine, Purinedithiol, Dithiopurine, 2,6-Dithiopurine, Purine analog, Purine-2,6-dithiol, 2,6-Dimercaptopurine, 2,6-Dithioxanthine, 2,6-Purinedithiol, 2,6-Dimercapto-7H-purine, Ambap3309, Xanthine, 2,6-dithio-, Xanthine, dithio- (7CI,8CI), 852627_ALDRICH, STOCK1S-27790, EINECS 226-608-8, NSC 15989, NSC685799, AIDS045537, AIDS099048

Molecular Formula: C5H4N4S2Molecular Weight: 184.242060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: VQPMXSMUUILNFZ-UHFFFAOYSA-N

• 2,7-Dihydroxy Naphthalene
IUPAC Name: naphthalene-2,7-diol | CAS Registry Number: 582-17-2
Synonyms: 2,7-Naphthalenediol, Naphthalene-2,7-diol, 2,7-DIHYDROXYNAPHTHALENE, CI 76645, Naphthalenediol-2,7 [French], D116408_ALDRICH, NSC 407541, 37781_FLUKA, EINECS 209-478-7, AIDS017777, 2,7-Naphthalenediol (8CI,9CI), C.I. 76645, AIDS-017777, BRN 2042383, NSC407541, ZINC00388554, LS-94572, ST5406389, 4-06-00-06570 (Beilstein Handbook Reference)

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DFQICHCWIIJABH-UHFFFAOYSA-N

• (R)-(+)-3-Benzyloxy-1,2-propanediol
IUPAC Name: (2R)-3-(phenylmethoxy)propane-1,2-diol | CAS Registry Number: 56552-80-8
Synonyms: 3-Benzyl-sn-glycerol, 3-O-Benzyl-sn-glycerol, (R)-Glycerol 1-benzyl ether, 438960_ALDRICH, Glycerol, alpha-monobenzyl ether, 13735_FLUKA, (R)-3-Benzyloxy-1,2-propanediol, ZINC00396104, CID2724795, (R)-()-3-Benzyloxy-1,2-propanediol

Molecular Formula: C10H14O3Molecular Weight: 182.216360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LWCIBYRXSHRIAP-SNVBAGLBSA-N

• 1,3-Dichloroacetone
IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

Molecular Formula: C3H4Cl2OMolecular Weight: 126.969260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

• 1-Hydroxybenzotriazole
IUPAC Name: 1-hydroxybenzotriazole | CAS Registry Number: 2592-95-2
Synonyms: Benzazimidol, Benzazimidol hydrate, 1H-Benzotriazole, 1-hydroxy-, N-Hydroxybenzotriazole hydrate, 1-Hydroxybenzotriazole hydrate, CCRIS 2605, MLS001006716, 1-Hydroxy-1H-benzotriazole hydrate, EINECS 219-989-7, 1-HYDROXY-1-H-BENZOTRIAZOLE, 1H-Benzotriazole, 1-hydroxy-, hydrate, BRN 0004515, ZINC00058261, LS-41548, SMR000349651, TL8002087, 4-26-00-00095 (Beilstein Handbook Reference), T0515-4929, 40150-21-8, 63307-62-0

Molecular Formula: C6H5N3OMolecular Weight: 135.123400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ASOKPJOREAFHNY-UHFFFAOYSA-N

• 1-Bromodocosane
IUPAC Name: 1-bromodocosane | CAS Registry Number: 6938-66-5
Synonyms: Behenyl bromide, Docosyl bromide, n-Docosyl bromide, Docosane, 1-bromo-, 332941_ALDRICH, 16960_FLUKA, LTBB002070, CID81355, NSC53991, EINECS 230-069-4

Molecular Formula: C22H45BrMolecular Weight: 389.496700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QYOXLKAKUAASNA-UHFFFAOYSA-N

• 1,4-Dimethylnaphthalene
IUPAC Name: 1,4-dimethylnaphthalene | CAS Registry Number: 571-58-4
Synonyms: 1,4-DIMETHYLNAPHTHALENE, 1,4-Dimethylnapthalene, Naphthalene, 1,4-dimethyl-, D170305_ALDRICH, 37883_RIEDEL, NSC61779, CHEBI:48609, EINECS 209-335-9, 1,4-DMN, NSC 61779, EPA Pesticide Chemical Code 055802, CID11304, Naphthalene, 1,4-dimethyl- (8CI), NCGC00163993-01, LS-94559, Naphthalene, 1,4-dimethyl- (8CI)(9CI), C031969, InChI=1/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H

Molecular Formula: C12H12Molecular Weight: 156.223680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: APQSQLNWAIULLK-UHFFFAOYSA-N

• 12-Hydroxy Stearic Acid
IUPAC Name: 12-hydroxyoctadecanoic acid | CAS Registry Number: 106-14-9
Synonyms: Harwax A, 12-Hydroxystearic acid, Ceroxin GL, Barolub FTO, Cerit Fac 3, Hydroxystearic acid, Hydrofol acid 200, Loxiol G 21, Octadecanoic acid, 12-hydroxy-, Stearic acid, 12-hydroxy-, DL-12-Hydroxystearic acid, 12-HYDROXYOCTADECANOIC ACID, DL-12-hydroxy stearic acid, WLN: QV10YQ6, 12-hydroxy-octadecanoic acid, HSDB 5368, 219967_ALDRICH, 12-Hydroxystearic acid estolide, NSC 2385, 56440_FLUKA

Molecular Formula: C18H36O3Molecular Weight: 300.476640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ULQISTXYYBZJSJ-UHFFFAOYSA-N

• 6-methoxy-2-cyano-benzothiazole
IUPAC Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile | CAS Registry Number: 943-03-3
Synonyms: 2-Cyano-6-methoxybenzothiazole, 261858_ALDRICH, NSC377382, CID342109, ZINC02539373, 6-Methoxy-2-benzothiazolecarbonitrile, ST044504, 6-Methoxy-1,3-benzothiazole-2-carbonitrile, InChI=1/C9H6N2OS/c1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H

Molecular Formula: C9H6N2OSMolecular Weight: 190.221740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DEWDWBYQOFXKIH-UHFFFAOYSA-N

• 2-Acetyl Furan
IUPAC Name: 1-furan-2-ylethanone | CAS Registry Number: 1192-62-7
Synonyms: Acetylfuran, 2-Acetylfuran, 2-Furylethanone, Ketone, 2-furyl methyl, 2-Furyl methyl ketone, 1-(2-Furyl)ethanone, Furan, 2-acetyl-, Methyl 2-furyl ketone, Ethanone, 1-(2-furanyl)-, FEMA No. 3163, CCRIS 3161, 1-(2-FURANYL)ETHANONE, A16254_ALDRICH, 2-Furyl methyl ketone (natural), W316318_ALDRICH, W316350_ALDRICH, NSC 4665, 48200_FLUKA, EINECS 214-757-1, NSC4665

Molecular Formula: C6H6O2Molecular Weight: 110.110640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IEMMBWWQXVXBEU-UHFFFAOYSA-N

• 1-Heptyne
IUPAC Name: hept-1-yne | CAS Registry Number: 628-71-7
Synonyms: Amylacetylene, 1-HEPTYNE, hept-1-yne, Ambap3104, 244414_ALDRICH, 51950_FLUKA, NSC9710, NSC 9710, EINECS 211-051-5, TL8004296, InChI=1/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H

Molecular Formula: C7H12Molecular Weight: 96.170180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: YVXHZKKCZYLQOP-UHFFFAOYSA-N

• 1-Heptane Sulphonic Acid Sodium Salt
IUPAC Name: sodium heptane-1-sulfonate | CAS Registry Number: 22767-50-6
Synonyms: Sodium heptane-1-sulphonate, SODIUM HEPTANE SULFONATE, 51832_FLUKA, 51833_FLUKA, 51835_FLUKA, CID89828, 1-Heptanesulfonic acid, sodium salt, EINECS 245-210-5, Sodium 1-heptanesulfonate monohydrate, 1-Heptanesulfonic acid sodium salt monohydrate

Molecular Formula: C7H15NaO3SMolecular Weight: 202.246970 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: REFMEZARFCPESH-UHFFFAOYSA-M

• 1,3-Dithiane
IUPAC Name: 1,3-dithiane | CAS Registry Number: 505-23-7
Synonyms: m-DITHIANE, 1,3-Dithiacyclohexane, 1,3-dithian, Dithiane-1,3, Dithiane-1,3 [French], CCRIS 6777, 157872_ALDRICH, CHEBI:47845, EINECS 208-006-7, NSC 157830, NSC157830, ZINC03861206, AI3-62288, LS-63109, TL8003353, InChI=1/C4H8S2/c1-2-5-4-6-3-1/h1-4H

Molecular Formula: C4H8S2Molecular Weight: 120.236320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WQADWIOXOXRPLN-UHFFFAOYSA-N

• 1-Heptadecanol
IUPAC Name: heptadecan-1-ol | CAS Registry Number: 1454-85-9
Synonyms: n-Heptadecanol, Heptadecanol, Heptadecan-1-ol, HEPTADECYL ALCOHOL, Alcohols, C16-18, Prim-n-heptadecyl alcohol, 241695_ALDRICH, NSC 3921, EINECS 215-932-5, NSC3921, CHEBI:133253, HEPTADECANOL (mixed primary isomers), CID15076, AI3-01234, LS-74184, LS-74185, 52783-44-5, 67762-27-0

Molecular Formula: C17H36OMolecular Weight: 256.467140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GOQYKNQRPGWPLP-UHFFFAOYSA-N

• 2-Bromothiazole
IUPAC Name: 2-bromo-1,3-thiazole | CAS Registry Number: 3034-53-5
Synonyms: Thiazole, 2-bromo-, 2-Bromo-1,3-thiazole, 160474_ALDRICH, NSC91532, EINECS 221-229-4, NSC 91532, SBB003918, ZINC01592420, B2607G25, TL806302, InChI=1/C3H2BrNS/c4-3-5-1-2-6-3/h1-2

Molecular Formula: C3H2BrNSMolecular Weight: 164.023680 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RXNZFHIEDZEUQM-UHFFFAOYSA-N

• 1-Pentane Sulphonic Acid Sodium Salt
IUPAC Name: sodium pentane-1-sulfonate | CAS Registry Number: 22767-49-3
Synonyms: 1-Pentanesulfonic acid, Sodium 1-pentanesulfonate, 1-Pentanesulfonic acid, sodium salt, EINECS 245-208-4, Sodium pentane-1-sulphonate monohydrate, 35452-30-3

Molecular Formula: C5H11NaO3SMolecular Weight: 174.193810 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ROBLTDOHDSGGDT-UHFFFAOYSA-M

• (-)-Bornyl acetate
IUPAC Name: [(1S,4S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] acetate | CAS Registry Number: 5655-61-8
Synonyms: L-bornyl acetate, L-Born-2-yl acetate, (−)-Bornyl acetate, 45855_FLUKA, EINECS 227-101-4, ZINC00388663, Borneol, acetate, (1S,2R,4S)-(-)-, endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl acetate, Bicyclo(2.2.1)heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S,2R,4S)-, Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, (1S-endo)-, 6626-35-3

Molecular Formula: C12H20O2Molecular Weight: 196.286000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KGEKLUUHTZCSIP-HOSYDEDBSA-N

• 2-Chloroethylamine Hydrochloride
IUPAC Name: 2-chloroethanamine hydrochloride | CAS Registry Number: 870-24-6
Synonyms: 2-Chloroethylamine hydrochloride, C40200_ALDRICH, 23035_FLUKA, 2-Aminoethyl chloride hydrochloride, NSC10871, .beta.-Chloroethylamine hydrochloride, 1-Amino-2-chloroethane hydrochloride, Ethanamine, 2-chloro-, hydrochloride, TL8005648, ETHYLAMINE, 2-CHLORO-, HYDROCHLORIDE

Molecular Formula: C2H7Cl2NMolecular Weight: 115.989680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ONRREFWJTRBDRA-UHFFFAOYSA-N

• 1-Naphthaleneamine hydrochloride
IUPAC Name: naphthalen-1-amine hydrochloride | CAS Registry Number: 552-46-5
Synonyms: 1-Naphthylammonium chloride, 1-Naphthalenamine, hydrochloride, 1-Naphthalenamine hydrochloride, alpha-Naphthylamine hydrochloride, 1-Amino-naphthalene hydrochloride, 1-NAPHTHYLAMINE HYDROCHLORIDE, 1-Naphthylamine, hydrochloride, WLN: L66J BZ &GH, NSC 4154, EINECS 209-014-3, NSC4154, .alpha.-Naphthylamine hydrochloride, LS-95732, ST5406815

Molecular Formula: C10H10ClNMolecular Weight: 179.646100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: FOKKJVHTXPJHEN-UHFFFAOYSA-N

• 1-Pentanol
IUPAC Name: pentan-1-ol | CAS Registry Number: 71-41-0
Synonyms: Pentyl alcohol, N-Amyl alcohol, n-Pentanol, Pentanol, Pentan-1-ol, Amyl alcohol, Amylol, n-Butylcarbinol, Butylcarbinol, Pentasol, Butyl carbinol, Pentanol-1, 1-Pentyl alcohol, Alcool amylique, n-Amylalkohol, n-Pentan-1-ol, Pentylalkohol, Amylalkohol, pentyl-alcohol, Primary amyl alcohol

Molecular Formula: C5H12OMolecular Weight: 88.148180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N

• 2,3-Dimethylpyrazine
IUPAC Name: 2,3-dimethylpyrazine | CAS Registry Number: 5910-89-4
Synonyms: 2,3-DIMETHYLPYRAZINE, Pyrazine, 2,3-dimethyl-, 2,3-Dimethyl-1,4-diazine, FEMA No. 3271, CCRIS 2928, 2,3-Dimethylpyrazine (natural), W327107_ALDRICH, 199400_ALDRICH, EINECS 227-630-0, ZINC00003183, LS-2693, TL8003771, InChI=1/C6H8N2/c1-5-6(2)8-4-3-7-5/h3-4H,1-2H

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OXQOBQJCDNLAPO-UHFFFAOYSA-N

• 1-Naphthyl Phosphate Monosodium Salt Monohydrate
IUPAC Name: naphthalen-1-yl phosphate | CAS Registry Number: 81012-89-7
Synonyms: ZINC01841117, CID5018845

Molecular Formula: C10H7O4P-2Molecular Weight: 222.133941 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: YNXICDMQCQPQEW-UHFFFAOYSA-L

• 1-(4-Chlorophenyl) Piperazine 2HCl
IUPAC Name: 1-(4-chlorophenyl)piperazine hydrochloride | CAS Registry Number: 38869-46-4
Synonyms: NSC71659, EINECS 254-165-0, SBB003262, 1-(4-Chlorophenyl)piperazine dihydrochloride

Molecular Formula: C10H14Cl2N2Molecular Weight: 233.137560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZHGRQBSZTVJDHU-UHFFFAOYSA-N

• 2,6-Dichlorophenol
IUPAC Name: 2,6-dichlorophenol | CAS Registry Number: 87-65-0
Synonyms: 2,6-DICHLOROPHENOL, Phenol, 2,6-dichloro-, 2,6-Dichlorfenol, RCRA waste no. U082, RCRA waste number U082, 2,6-Dichlorfenol [Czech], WLN: QR BG FG, CCRIS 2511, D70201_ALDRICH, HSDB 4240, 35990_RIEDEL, 442325_SUPELCO, CHEBI:28457, EINECS 201-761-3, 2,6-DCP, 2,6-DCP, 2,6-Dichlorophenol, NSC 60647, 2,6-Dichlorophenol (2,6-DCP), NSC60647, BRN 1447806

Molecular Formula: C6H4Cl2OMolecular Weight: 163.001360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HOLHYSJJBXSLMV-UHFFFAOYSA-N

• 1-chloro-2-pentyne
IUPAC Name: 1-chloropent-2-yne | CAS Registry Number: 22592-15-0
Synonyms: 1-Chloro-2-pentyne, 1-Chloropent-2-yne, 2-Pentyne, 1-chloro-, EINECS 245-112-2

Molecular Formula: C5H7ClMolecular Weight: 102.562080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: JBKXDMAPOZZDCE-UHFFFAOYSA-N

• 2-Cyano Phenol
IUPAC Name: 2-hydroxybenzonitrile | CAS Registry Number: 611-20-1
Synonyms: Salicylonitrile, o-Cyanophenol, Salicylnitrile, 2-Cyanophenol, 2-Hydroxybenzonitrile, o-Hydoxybenzonitrile, Benzonitrile, 2-hydroxy-, o-Hydroxybenzonitrile, O-CYCANOPHENOL, Benzonitrile, o-hydroxy-, Benzonitrile, hydroxy-, 141038_ALDRICH, AIDS018402, AIDS-018402, NSC53558, EINECS 210-259-3, NSC 53558, SBB007959, ZINC00388252, FR-0652

Molecular Formula: C7H5NOMolecular Weight: 119.120700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CHZCERSEMVWNHL-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

• 2-Aminopyridine
IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 2,6-Dimethoxyquinone
IUPAC Name: 2,6-dimethoxycyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 530-55-2
Synonyms: 2,6-Dimethoxybenzoquinone, 2,6-Dimethoxy-p-benzoquinone, 2,6-Dimethoxy-p-quinone, DMBQ, Spectrum_000723, 2,6-Dimethoxy-1,4-benzoquinone, Maybridge1_002628, Spectrum2_000781, Spectrum3_000177, Spectrum4_001608, Spectrum5_000335, ghl.PD_Mitscher_leg0.4, p-Benzoquinone, 2,6-dimethoxy-, BSPBio_001673, KBioGR_001955, KBioSS_001203, SPECTRUM200413, NSC24500, DivK1c_001380, 2,6-Dimethoxybenzo-1,4-quinone

Molecular Formula: C8H8O4Molecular Weight: 168.146720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OLBNOBQOQZRLMP-UHFFFAOYSA-N

• (1R)-(+)-3-Bromocamphor-8-sulfonic acid ammonium salt
IUPAC Name: azanium [(1R,3S,4S)-3-bromo-1,7-dimethyl-2-oxo-7-bicyclo[2.2.1]heptanyl]methanesulfonate | CAS Registry Number: 14575-84-9
Synonyms: D-alpha-BROMOCAMPHOR-PI-SULFONIC, NH(4) SALT

Molecular Formula: C10H18BrNO4SMolecular Weight: 328.223220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GFBVBBRNPGPROZ-ATNBVHDLSA-N

• 2-Chloroethanol
IUPAC Name: 2-chloroethanol | CAS Registry Number: 107-07-3
Synonyms: 2-chloroethanol, Chloroethanol, Glycol chlorohydrin, Ethylene chlorohydrin, Ethylchlorohydrin, Ethanol, 2-chloro-, Chloroalcohol, Glycomonochlorhydrin, 2-Monochloroethanol, Ethylene chlorhydrin, 2-Chloroethyl alcohol, Ethene, chlorohydrin, Z-Chloroethanol, 2-Chloorethanol, 2-Chloraethanol, delta-Chloroethanol, 2-Cloroetanolo, 2-Chloro-1-ethanol, Glycol monochlorohydrin, beta-Chloroethanol

Molecular Formula: C2H5ClOMolecular Weight: 80.513500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SZIFAVKTNFCBPC-UHFFFAOYSA-N

• 2,4-Dinitrochlorobenzene
IUPAC Name: 1-chloro-2,4-dinitrobenzene | CAS Registry Number: 97-00-7
Synonyms: Dinitrochlorobenzene, 1-chloro-2,4-dinitrobenzene, CDNB, DNCB, Dinitrochlorobenzol, Chlorodinitrobenzene, Caswell No. 389C, Benzene, 1-chloro-2,4-dinitro-, 2,4-Dinitrophenyl chloride, Dinitrochlorobenzene (VAN), 1,3-Dinitro-4-chlorobenzene, 2,4-Dinitro-1-chlorobenzene, 4-Chloro-1,3-dinitrobenzene, CID6, 1-Chlor-2,4-dinitrobenzol, WLN: WNR BG ENW, 1-Chlor-2,4-dinitrobenzene, 6-Chloro-1,3-dinitrobenzene, C6H3ClN2O4, CCRIS 1799

Molecular Formula: C6H3ClN2O4Molecular Weight: 202.552020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: VYZAHLCBVHPDDF-UHFFFAOYSA-N

• 2-Chloroadenosine Hemihydrate
IUPAC Name: (2R,3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate | CAS Registry Number: 81012-94-4
Synonyms: 2-Chloroadenosine Hemidydrate, 2-Chloroadenosine Hydrate, ANW-21028, RL05110

Molecular Formula: C10H14ClN5O5Molecular Weight: 319.701660 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: CSVJEVDOHIWPDO-GWTDSMLYSA-N

• 2-Ethoxybenzoic Acid
IUPAC Name: 2-ethoxybenzoic acid | CAS Registry Number: 134-11-2
Synonyms: 2-Ethoxybenzoic acid, o-Ethoxybenzoic acid, Benzoic acid, 2-ethoxy-, Benzoic acid, o-ethoxy-, O-Ethylsalicylic acid, 147494_ALDRICH, ARONIS009857, Benzoic acid, o-ethoxy- (8CI), AIDS018081, AIDS-018081, EINECS 205-130-3, NSC406710, NSC 406710, AI3-06193, ST5406553, TL8007018, 6679-84-1, InChI=1/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XDZMPRGFOOFSBL-UHFFFAOYSA-N

• 2,3-Naphtho-15-crown-5
Synonyms: ZINC04269387, 2,3-naphtho-15-crown, AC1MC236, 70385_FLUKA, MolPort-000-157-708, AKOS015907749, FT-0637554, I14-27420, 2,5,8,11,14-Pentaoxa-tricyclo[13.8.0.0*17,22*]tricosa-1(15),16,18,20,22-pentaene

Molecular Formula: C18H22O5Molecular Weight: 318.364280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: BDTDDXDRCOLVNJ-UHFFFAOYSA-N

• 2,4,6-Trichlorophenol
IUPAC Name: 2,4,6-trichlorophenol | CAS Registry Number: 88-06-2
Synonyms: Phenachlor, Dowicide 2S, Phenaclor, 2,4,6-TRICHLOROPHENOL, OMAL, Dowcide 2S, Phenol, 2,4,6-trichloro-, 2,4,6-Trichlorfenol, RCRA waste no. U231, RCRA waste number U231, 1,3,5-Trichlorophenol, PS10_SUPELCO, 2,4,6-:trichlorophenol, CCRIS 605, WLN: QR BG DG FG, Trichlorophenol, 2,4,6-, NCI-C02904, 2,4,6-Trichlorfenol [Czech], T55301_ALDRICH, HSDB 4013

Molecular Formula: C6H3Cl3OMolecular Weight: 197.446420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LINPIYWFGCPVIE-UHFFFAOYSA-N

• 2,4,6-Triaminopyrimidine
IUPAC Name: pyrimidine-2,4,6-triamine | CAS Registry Number: 1004-38-2
Synonyms: Ambap161, 2,4,6-PYRIMIDINETRIAMINE, pyrimidine-2,4,6-triamine, Pyrimidine, 2,4,6-triamino-, T45802_ALDRICH, Pyrimidine-2,4,6-triyltriamine, AIDS023039, AIDS-023039, NSC26493, EINECS 213-720-7, NSC 26493, ZINC01511101, Pyrimidine, 2,4,6-triamino- (8CI), AI3-60016, TL8000051, TAP, InChI=1/C4H7N5/c5-2-1-3(6)9-4(7)8-2/h1H,(H6,5,6,7,8,9, 3AY, 42911-01-3, 42911-03-5

Molecular Formula: C4H7N5Molecular Weight: 125.131880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: JTTIOYHBNXDJOD-UHFFFAOYSA-N

• (S)-(-)-Alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid
IUPAC Name: 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid | CAS Registry Number: 17257-71-5
Synonyms: Mosher's acid, MTPA, (+)-Mtpa, 156558_ALDRICH, 65371_FLUKA, EINECS 241-292-1, EINECS 243-829-5, NSC370475, SBB000723, ST5307071, TL80073733, alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, ()-alpha-Methoxy-alpha-trifluoromethylphenylacetic acid, (R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid, (+)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, (-)-alpha-Methoxy-alpha-(trifluoromethyl)phenylacetic acid, Benzeneacetic acid, alpha-methoxy-alpha-(trifluoromethyl)-, (-)-.alpha.-Methoxy-.alpha.-trifluoromethylphenylacetic acid, (S)-(-)-.alpha.-Methoxy-.alpha.-(trifluoromethyl)phenylacetic acid, Benzeneacetic acid, .alpha.-methoxy-.alpha.-(trifluoromethyl)-, (R)-

Molecular Formula: C10H9F3O3Molecular Weight: 234.171870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: JJYKJUXBWFATTE-UHFFFAOYSA-N

• (-)-α-Pinene
IUPAC Name: (1S,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 7785-26-4
Synonyms: (-)-alpha-Pinene, ALPHA-PINENE (DL), (1S,5S)-pin-2-ene, (-)-(1S,5S)-alpha-pinene, CHEBI:28660, BB_NC-0755, CPD-4892, (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene, C06308, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-, InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H, 80-56-8

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N

• 2,5-Dinitrobenzoic Acid
IUPAC Name: 2,5-dinitrobenzoic acid | CAS Registry Number: 610-28-6
Synonyms: 2,5-DINITROBENZOIC ACID, Benzoic acid, 2,5-dinitro-, CCRIS 3127, NSC3810, NSC 3810, 41920_FLUKA, EINECS 210-216-9, CID11879, BRN 1983247, LS-37273, 4-09-00-01241 (Beilstein Handbook Reference)

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

InChIKey: YKMDNKRCCODWMG-UHFFFAOYSA-N


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