AG003N3I

885523-08-0 | 6-bromo-1H-indazole-4-carboxylic acid

AG003N3I

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CAS Number	885523-08-0
Catalog Number	AG003N3I(AGN-PC-04Q5P9)
Chemical Name	6-bromo-1H-indazole-4-carboxylic acid
IUPAC Name	6-bromo-1H-indazole-4-carboxylic acid
InChI	InChI=1S/C8H5BrN2O2/c9-4-1-5(8(12)13)6-3-10-11-7(6)2-4/h1-3H,(H,10,11)(H,12,13)
InChI Key	YYONCBWTWPVWRT-UHFFFAOYSA-N
MDL Number	MFCD07368215
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	c1c(cc2c(c1C(=O)O)cn[nH]2)Br
Synonyms	6-Bromo-1H-indazole-4-carboxylic acid, 885523-08-0, 6-Bromo-(1H)indazole-4-carboxylic acid, AK-40364, MFCD07368215, SCHEMBL459215, CTK8B5683, KS-00000CPH, DTXSID80646521, YYONCBWTWPVWRT-UHFFFAOYSA-N, ZX-AT019246, ANW-49596, ZINC14984778, 6-Bromo-1H-indazole-4-carboxylicAcid, AKOS015902917, CB-3904, CS-W003374, FCH1382850, FS-3136, PB29421, RP28461, TRA0044784, AJ-66220, BR-40364, OR301140, QC-10805, SY015362, 6-Bromo-(1H) Indazole-4-carboxylic acid, AB0027295, AX8161148, DB-023528, TX-017279, 4CH-003327, AM20041323, C2299, FT-0766419, ST24029635, W9113, 6-Bromo-1H-indazole-4-carboxylic acid, 97%, MFCD07368215 (95%), S-4378, I14-20229, C8H5BrN2O2, 6-bromo-1H-indazole-4-carboxylic acid, 95% - 1G 1g,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.044g/mol
Monoisotopic Mass	239.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H318
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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