AG0045V2

885278-71-7 | 7-Bromo-1H-indazole-3-carboxylic acid

AG0045V2

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CAS Number	885278-71-7
Catalog Number	AG0045V2(AGN-PC-0OLRA2)
Chemical Name	7-Bromo-1H-indazole-3-carboxylic acid
IUPAC Name	7-bromo-2H-indazole-3-carboxylic acid
InChI	InChI=1S/C8H5BrN2O2/c9-5-3-1-2-4-6(5)10-11-7(4)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key	HJSGTNVPWFFHOJ-UHFFFAOYSA-N
MDL Number	MFCD07371559
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	BrC2=C1[NH]N=C(C1=CC=C2)C(=O)O
Synonyms	7-BROMO-1H-INDAZOLE-3-CARBOXYLIC ACID, 885278-71-7, 7-bromo-2H-indazole-3-carboxylic acid, AK-31504, SCHEMBL17031915, CTK3E6877, DTXSID40652946, ANW-50631, MFCD07371559, ZINC26894318, AKOS015834732, CB-3774, FCH1382929, FS-2995, PB29428, RP28465, SB20227, KS-00002X11, 1H-Indazole-3-carboxylicacid, 7-bromo-, AJ-82803, BR-31504, SC-36496, 1h-indazole-3-carboxylic acid,6-hydroxy-, AB0027284, AX8026598, DB-077769, ST2419023, TR-027821, 4CH-012664, FT-0759106, W9101, S-4946, J-519105, C8H5BrN2O2, ACN-045173, 7-BROMO-1H-INDAZOLE-3-CARBOXYLICACID, C2328, 885520-18-3,

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	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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