AG004RA7

84547-87-5 | 4-Chloro-1H-pyrazole-5-carboxylic acid

AG004RA7

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CAS Number	84547-87-5
Catalog Number	AG004RA7(AGN-PC-0OJ6PC)
Chemical Name	4-Chloro-1H-pyrazole-5-carboxylic acid
IUPAC Name	4-chloro-1H-pyrazole-5-carboxylic acid
InChI	InChI=1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChI Key	ZOLUACWHRMUETA-UHFFFAOYSA-N
MDL Number	MFCD01459881
Molecular Formula	C4H3ClN2O2
Molecular Weight	146.5318
SMILES	O=C(C1=C(Cl)C=NN1)O
Synonyms	4-Chloro-1H-pyrazole-3-carboxylic acid, 84547-87-5, 4-chloro-1H-pyrazole-5-carboxylic acid, 4-chloro-2H-pyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 4-chloro-, ZOLUACWHRMUETA-UHFFFAOYSA-N, 4-chloropyrazole-3-carboxylic acid, AC1LBVGK, BAS 06502606, 4-chloropyrazolecarboxylic, SCHEMBL950773, CTK3E6380, CTK7I6276, KS-00000ILP, DTXSID30343432, ALBB-013432, ZINC4716339, ANW-64215, BBL015799, MFCD01459881, SBB000096, STK301290, AKOS000265914, AKOS005144469, 4-chloro-1H-pyrazole-3-carboxylicacid, ACN-000277, CS-W005681, DS-3139, MCULE-9369842938, 1H-Pyrazole-3-carboxylicacid, 4-chloro-, AJ-52047, AJ-74773, AK-47681, AK-75702, BR-47681, DA-16841, ST005611, 1H-pyrazole-5-carboxylic acid, 4-chloro-, 4-Chloro-1H-pyrazole-3-carboxylic acid #, AB0026962, AB1008843, TR-026135, 4CH-011029, AM20110213, BB 0260076, FT-0714073, ST24023453, ST24028990, W8728, EN300-83461, 4-Chloro-1H-pyrazole-3-carboxylic acid, 95%, M-8884, S-4926, AG-664/25027001, W-203922, I14-14327, null, C4H3ClN2O2, CID589702, 1H-Pyrazole-3-carboxylicacid,4-chloro-, A10155, N/A, 2-amino-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide,

Complexity	130
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.988g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	146.53g/mol
Monoisotopic Mass	145.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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