AG000PM4

1197631-00-7 | 3-(2-Chlorophenyl)-1h-pyrazole-5-carboxylic acid

AG000PM4

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CAS Number	1197631-00-7
Catalog Number	AG000PM4(AGN-PC-0WAAPB)
Chemical Name	3-(2-Chlorophenyl)-1h-pyrazole-5-carboxylic acid
IUPAC Name	3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C10H7ClN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChI Key	YECLPKDINYXXNB-UHFFFAOYSA-N
MDL Number	MFCD05170018
Molecular Formula	C10H7ClN2O2
Molecular Weight	222.6278
SMILES	ClC1=C(C=CC=C1)C2=CC(=N[NH]2)C(=O)O
Synonyms	5-(2-chlorophenyl)-1H-pyrazole-3-carboxylic acid, 890621-13-3, 3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid, 1197631-00-7, 5-(2-Chloro-phenyl)-2H-pyrazole-3-carboxylic acid, 5-(2-CHLOROPHENYL)-3-PYRAZOLECARBOXYLIC ACID, CHEMBL505807, BAS 06804308, 1H-Pyrazole-5-carboxylicacid, 3-(2-chlorophenyl)-, 3-(2-chlorophenyl)pyrazole-5-carboxylic acid, MLS000070950, AC1LDDDM, SCHEMBL643640, AC1Q747S, cid_646303, CTK3E7212, CTK6H3177, KS-00001NGP, DTXSID00349421, YECLPKDINYXXNB-UHFFFAOYSA-N, HMS2315G12, ALBB-020966, ZINC4992727, ANW-51023, BBL008303, BDBM50254315, HTS000439, MFCD04327495, RW3224, SBB012341, STK392427, AKOS000140679, AKOS000265793, AB21562, CID 646303, CS-W006612, DS-0122, FS-1878, MCULE-1058746561, QC-1961, RP27415, RP27419, RTR-028003, AJ-52837, AK-17520, BR-17520, SMR000013947, ST062983, SY016233, AB0027372, DB-027101, TC-139768, 4CH-008279, AM20060404, BB 0219035, FT-0677279, ST24029263, T8263, W9200, EN300-36322, MFCD05170018 (95%), MLS-0005718.0001, S-4102, 5-(2-chlorophenyl)-2H-pyrazole-3-carboxylic acid, SR-01000323427, I04-4793, J-516099, SR-01000323427-1, 1H-Pyrazole-3-carboxylic acid, 5-(2-chlorophenyl)-, 1H-pyrazole-5-carboxylic acid, 3-(2-chlorophenyl)-, 5-(2-Chloro-phenyl)-2 H -pyrazole-3-carboxylic acid, 5-(2-chloro-phenyl)-2 h-pyrazole-3-carboxylic acid, F2130-0039, Z367678708, 5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid, AldrichCPR, C10H7ClN2O2, CID646303, 3- -1H-PYRAZOLE-5-CARBOXYLICACID, 5-(2-chlorophenyl)- 1H-Pyrazole-3-carboxylic acid,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.02g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.628g/mol
Monoisotopic Mass	222.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number