AG001Z8D

173841-06-0 | 1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-, methyl ester

AG001Z8D

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CAS Number	173841-06-0
Catalog Number	AG001Z8D(AGN-PC-0HAMIR)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-, methyl ester
IUPAC Name	methyl 5-chloro-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7ClN2O2/c1-9-4(6(10)11-2)3-5(7)8-9/h3H,1-2H3
InChI Key	HXVYKJUTAPFZGY-UHFFFAOYSA-N
MDL Number	MFCD22573939
Molecular Formula	C6H7ClN2O2
Molecular Weight	174.5850
SMILES	O=C(C1=CC(Cl)=NN1C)OC
Synonyms	METHYL 3-CHLORO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE, 173841-06-0, 1H-Pyrazole-5-carboxylic acid, 3-chloro-1-methyl-, methyl ester, SCHEMBL1915343, CHEMBL2287218, DTXSID60736611, HXVYKJUTAPFZGY-UHFFFAOYSA-N, 1H-Pyrazole-5-carboxylicacid,3-chloro-1-methyl-,methylester, MFCD22573939, ZINC91691963, AKOS022186771, FCH2294097, PB30502, AK146461, AS-38351, AB0077254, AJ-131887, AX8266940, ST1251368, CS-0049102, KS-00000459, X-1927, Methyl 5-chloro-2-methyl-pyrazole-3-carboxylate, METHYL 5-CHLORO-2-METHYLPYRAZOLE-3-CARBOXYLATE, 1-Methyl-3-chloro-1H-pyrazole-5-carboxylic acid methyl ester,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.584g/mol
Monoisotopic Mass	174.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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