AG0006TT

1021859-29-9 | 1H-Indazole-3-carboxylic acid, 6-bromo-1-methyl-

AG0006TT

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CAS Number	1021859-29-9
Catalog Number	AG0006TT(AGN-PC-0WABSQ)
Chemical Name	1H-Indazole-3-carboxylic acid, 6-bromo-1-methyl-
IUPAC Name	6-bromo-1-methylindazole-3-carboxylic acid
InChI	InChI=1S/C9H7BrN2O2/c1-12-7-4-5(10)2-3-6(7)8(11-12)9(13)14/h2-4H,1H3,(H,13,14)
InChI Key	OPJAPPYKVWTEQM-UHFFFAOYSA-N
MDL Number	MFCD15071436
Molecular Formula	C9H7BrN2O2
Molecular Weight	255.0681
SMILES	O=C(C1=NN(C)C2=C1C=CC(Br)=C2)O
Synonyms	6-BROMO-1-METHYL-1H-INDAZOLE-3-CARBOXYLIC ACID, 1021859-29-9, 6-bromo-1-methylindazole-3-carboxylic acid, W-204450, SCHEMBL492125, DTXSID50735092, 7607AC, MFCD15071436, ZINC72193738, AKOS015949516, FCH1388021, PB19419, RP09503, KS-000003B2, AK165436, AS-33568, ST1100673, CS-0050306, FT-0684657, Q-2875, J-518311, 1H-INDAZOLE-3-CARBOXYLIC ACID, 6-BROMO-1-METHYL-, C9H7BrN2O2,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.969g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.071g/mol
Monoisotopic Mass	253.969g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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

Lot Number