AG00IAA4

5775-88-2 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-

AG00IAA4

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CAS Number	5775-88-2
Catalog Number	AG00IAA4(AGN-PC-0KKZUP)
Chemical Name	1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-
IUPAC Name	4-bromo-2,5-dimethylpyrazole-3-carboxylic acid
InChI	InChI=1S/C6H7BrN2O2/c1-3-4(7)5(6(10)11)9(2)8-3/h1-2H3,(H,10,11)
InChI Key	ZUEAEVZRYGUFPS-UHFFFAOYSA-N
MDL Number	MFCD02090873
Molecular Formula	C6H7BrN2O2
Molecular Weight	219.0360
SMILES	O=C(C1=C(Br)C(C)=NN1C)O
Synonyms	4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid, 5775-88-2, 4-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid, 4-bromo-1,3-dimethylpyrazole-5-carboxylic acid, 1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-, 4-bromo-2,5-dimethylpyrazole-3-carboxylic acid, AC1MCWFP, 1H-Pyrazole-5-carboxylicacid,4-bromo-1,3-dimethyl-, SCHEMBL1359424, CTK1G9118, DTXSID00381568, ZUEAEVZRYGUFPS-UHFFFAOYSA-N, ZINC161950, AC1Q4072, ALBB-014448, KS-00002A6S, BBL013086, KM0142, MFCD02090873, SBB019512, STK315872, AKOS000304124, MCULE-7010898437, PS-4430, VP20099, AB0118344, TR-020139, BB 0237326, FT-0617700, ST45161435, Y1165, EN300-55021, 4-bromo-2,5-dimethyl-3-pyrazolecarboxylic acid, A831582, 4-bromanyl-2,5-dimethyl-pyrazole-3-carboxylic acid, I04-3517, 1H-Pyrazole-5-carboxylicacid, 4-bromo-1,3-dimethyl-, Z275169822, 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid, 95%, 4-Bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid, AldrichCPR, InChI=1/C6H7BrN2O2/c1-3-4(7)5(6(10)11)9(2)8-3/h1-2H3,(H,10,11, C6H7BrN2O2, CID2779833, 4-bromo-2,5-dimethyl-pyrazole-3-carboxylic Acid, 4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLICACID,

Complexity	176
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	1
Isotope Atom Count	0
Molecular Weight	219.038g/mol
Monoisotopic Mass	217.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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