AG0016XR

1222174-92-6 | 1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester

AG0016XR

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CAS Number	1222174-92-6
Catalog Number	AG0016XR(AGN-PC-0WAJFH)
Chemical Name	1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester
IUPAC Name	methyl 5-bromo-1-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7BrN2O2/c1-9-5(7)3-4(8-9)6(10)11-2/h3H,1-2H3
InChI Key	FCRCTHGEYAIIIU-UHFFFAOYSA-N
MDL Number	MFCD22373310
Molecular Formula	C6H7BrN2O2
Molecular Weight	219.0360
SMILES	O=C(C1=NN(C)C(Br)=C1)OC
Synonyms	Methyl 5-bromo-1-methyl-1H-pyrazole-3-carboxylate, 1222174-92-6, SCHEMBL1314210, 1H-Pyrazole-3-carboxylic acid, 5-bromo-1-methyl-, methyl ester, MFCD22373310, ZINC98177682, AKOS022187060, CS-W007191, DS-8651, AK146866, DA-47098, AJ-138787, FT-0736825, methyl 5-bromo-1-methylpyrazole-3-carboxylate,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.969g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.038g/mol
Monoisotopic Mass	217.969g/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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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