AG0037JL

211738-66-8 | Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate

AG0037JL

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CAS Number	211738-66-8
Catalog Number	AG0037JL(AGN-PC-0JTNSV)
Chemical Name	Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate
IUPAC Name	methyl 4-bromo-1-methylpyrazole-3-carboxylate
InChI	InChI=1S/C6H7BrN2O2/c1-9-3-4(7)5(8-9)6(10)11-2/h3H,1-2H3
InChI Key	PFKHXPUGZRGBPX-UHFFFAOYSA-N
MDL Number	MFCD02253785
Molecular Formula	C6H7BrN2O2
Molecular Weight	219.0360
SMILES	BrC=1C(=NN(C1)C)C(=O)OC
Synonyms	Methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate, 211738-66-8, methyl 4-bromo-1-methylpyrazole-3-carboxylate, 4-bromo-1-methyl-1 h-pyrazole-3-carboxylic acid m ethyl ester, PFKHXPUGZRGBPX-UHFFFAOYSA-N, 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid methyl ester, MFCD02253785, 1H-PYRAZOLE-3-CARBOXYLIC ACID, 4-BROMO-1-METHYL-, METHYL ESTER, PubChem23716, AC1LCQW1, SCHEMBL9948309, CTK4E6017, KS-00000IKE, DTXSID90345513, ACN-C000803, ALBB-012014, BCP27151, ZINC2578437, ANW-59718, BBL013091, SBB019835, STK348794, AKOS000304561, CS-W000416, FS-1837, MCULE-4589841536, RP05098, RTC-062981, AJ-42764, AK-39953, BC004958, QC-11135, SC-28366, AB0040598, DB-001052, TC-062981, FT-0683449, ST45161467, Y8227, C-1407, I11-0362, W-206601, 4-bromo-1-methyl-1h-pyrazole-3-carboxylic acidmethyl ester, C6H7BrN2O2, CID605117, ZINC02578437, A15368, (2E)-3-(3-BROMO-4-METHOXYPHENYL)ACRYLIC ACID, methyl 4-bromo-1-methyl-1H-pyrazole-3-carboxylate, 95% - 1G 1g,

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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