AG000E4S

1173246-76-8 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-

AG000E4S

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CAS Number	1173246-76-8
Catalog Number	AG000E4S(AGN-PC-0WAB9N)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-
IUPAC Name	5-chloro-1-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C5H5ClN2O2/c1-8-4(6)2-3(7-8)5(9)10/h2H,1H3,(H,9,10)
InChI Key	KXFLDFBYTWSMPV-UHFFFAOYSA-N
MDL Number	MFCD00106211
Molecular Formula	C5H5ClN2O2
Molecular Weight	160.5584
SMILES	O=C(C1=NN(C)C(Cl)=C1)O
Synonyms	5-Chloro-1-methyl-1H-pyrazole-3-carboxylic acid, 1173246-76-8, 5-chloro-1-methylpyrazole-3-carboxylic acid, 1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-, SCHEMBL16468579, CTK6I3737, DTXSID50650115, KXFLDFBYTWSMPV-UHFFFAOYSA-N, ACN-C001139, 9929AC, MFCD00106211, SBB053201, ZINC15022094, AKOS015850265, NE63078, KS-00003T45, AJ-67103, SC-68152, TS-02134, AB0047252, TR-039035, FT-0705505, Z1255461425, C5H5ClN2O2,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.004g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.557g/mol
Monoisotopic Mass	160.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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