AG003498

881668-70-8 | 5-Chloropyrazole-3-carboxylic Acid

AG003498

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CAS Number	881668-70-8
Catalog Number	AG003498(AGN-PC-079GVC)
Chemical Name	5-Chloropyrazole-3-carboxylic Acid
IUPAC Name	5-chloro-1H-pyrazole-3-carboxylic acid
InChI	InChI=1S/C4H3ClN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChI Key	MOTPCOWWOZSEHC-UHFFFAOYSA-N
MDL Number	MFCD09608056
Molecular Formula	C4H3ClN2O2
Molecular Weight	146.5318
SMILES	ClC1=CC(=NN1)C(=O)O
Synonyms	5-CHLORO-1H-PYRAZOLE-3-CARBOXYLIC ACID, 881668-70-8, 5-Chloropyrazole-3-carboxylic Acid, 1H-Pyrazole-3-carboxylic acid, 5-chloro-, AK112708, PubChem23727, SCHEMBL2763015, SCHEMBL15648169, CTK3E6700, KS-00000CYA, DTXSID60659679, 5-Chloropyrazole-3-carboxylicAcid, MOTPCOWWOZSEHC-UHFFFAOYSA-N, FCH965399, MFCD09608056, ZINC43830785, AKOS006377877, ACN-000788, CS-W003620, DS-5758, QC-4470, RP00180, SB12158, TRA0028335, 3-chloro-1H-pyrazole-5-carboxylic acid, AC-28860, SC-68780, SY029998, AJ-109066, AX8103234, DB-077203, 4CH-002164, FT-0687727, ST24044584, Y4463, Z-6558, MFCD09608056 (95+%), J-517251, I14-15871, 1-(tert-butoxycarbonylamino)-2-phenylcyclopropanecarboxylic acid, C4H3ClN2O2, 1184136-10-4,

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	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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