AG00DD07

514816-42-3 | METHYL 4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE

AG00DD07

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CAS Number	514816-42-3
Catalog Number	AG00DD07(AGN-PC-0JUR2H)
Chemical Name	METHYL 4-BROMO-1-METHYL-1H-PYRAZOLE-5-CARBOXYLATE
IUPAC Name	methyl 4-bromo-2-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7BrN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3
InChI Key	XOGHZBXSBLBJHQ-UHFFFAOYSA-N
MDL Number	MFCD01459850
Molecular Formula	C6H7BrN2O2
Molecular Weight	219.0360
SMILES	O=C(C1=C(Br)C=NN1C)OC
Synonyms	methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate, 514816-42-3, methyl 4-bromo-2-methylpyrazole-3-carboxylate, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl ester, methyl 4-bromo-1-methylpyrazole-5-carboxylate, AC1LDRLJ, SCHEMBL4813243, CTK4J4328, ZINC35730, DTXSID50350087, XOGHZBXSBLBJHQ-UHFFFAOYSA-N, ALBB-009951, KS-00001AR6, 4693AE, BBL013090, MFCD01459850, SBB050133, STK315996, AKOS003744475, CS-W000414, MCULE-8307402222, AJ-08611, AS-39454, DA-05310, ST005505, BB 0255204, FT-0679636, W-8308, Methyl 4-bromo-2-methyl-2H-pyrazole-3-carboxylate, I14-25913, 4-bromo-2-methyl-2H-pyrazol-3-carboxylic acid methyl ester, 4-bromo-2-methyl-2h-pyrazole-3-carboxylic acid methyl ester, C6H7BrN2O2, CID673643, ZINC00035730, ACN-037084,

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	1.1

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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