AG008HN4

84547-84-2 | 4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

AG008HN4

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CAS Number	84547-84-2
Catalog Number	AG008HN4(AGN-PC-0JUR3K)
Chemical Name	4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC Name	4-bromo-2-methylpyrazole-3-carboxylic acid
InChI	InChI=1S/C5H5BrN2O2/c1-8-4(5(9)10)3(6)2-7-8/h2H,1H3,(H,9,10)
InChI Key	YXIJCAVZGBGUKM-UHFFFAOYSA-N
MDL Number	MFCD00463982
Molecular Formula	C5H5BrN2O2
Molecular Weight	205.0094
SMILES	O=C(C1=C(Br)C=NN1C)O
Synonyms	84547-84-2, 4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid, 4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid, 4-bromo-2-methylpyrazole-3-carboxylic acid, 4-Bromo-1-methylpyrazole-3-carboxy acid, YXIJCAVZGBGUKM-UHFFFAOYSA-N, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, 4-bromo-1-methylpyrazole-5-carboxylic acid, TimTec1_000450, zlchem 596, AC1LDRMQ, PubChem19973, AC1Q40DN, 1H-Pyrazole-5-carboxylicacid,4-bromo-1-methyl-, MLS000685520, SCHEMBL1357879, CHEMBL1899934, CTK3E7874, ZINC35822, DTXSID00350097, ZLD0043, HMS1535E10, HMS2618K16, ACT05883, ALBB-004720, BBL013089, MFCD00463982, SBB000440, STK315913, AKOS000304116, CCG-104790, CS-W000415, FS-1380, LS40471, MCULE-4991918679, SB12354, VP20100, KS-00000O15, AJ-08642, AK124611, BC004493, SC-87913, SMR000312484, ST005605, 4-bromo-2-methyl-3-pyrazolecarboxylic acid, 4-Bromopyrazole-1-methyl-5-carboxylic acid, AB0057821, DB-017770, DB-076068, TR-026133, BB 0254531, FT-0654500, V7937, EN300-83463, 4-bromanyl-2-methyl-pyrazole-3-carboxylic acid, C-6299, 1H-Pyrazole-5-carboxylicacid, 4-bromo-1-methyl-, A840842, SR-01000407657, S04-0032, SR-01000407657-1, F0405-1926, Z275170410, C5H5BrN2O2, CID673686, N/A,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.953g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.011g/mol
Monoisotopic Mass	203.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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