AG004D72

885521-49-3 | 3-Bromo-1H-indazole-5-carboxylic acid

AG004D72

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CAS Number	885521-49-3
Catalog Number	AG004D72(AGN-PC-0WA8BT)
Chemical Name	3-Bromo-1H-indazole-5-carboxylic acid
IUPAC Name	3-bromo-2H-indazole-5-carboxylic acid
InChI	InChI=1S/C8H5BrN2O2/c9-7-5-3-4(8(12)13)1-2-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key	RWQMEUDBXGKAER-UHFFFAOYSA-N
MDL Number	MFCD07781587
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	OC(=O)C1=CC=C2NN=C(Br)C2=C1
Synonyms	3-Bromo-1H-indazole-5-carboxylic acid, 885521-49-3, 3-BROMO-INDAZOLE-5-CARBOXYLIC ACID, 3-bromo-2H-indazole-5-carboxylic acid, AK-79874, 3-Bromanyl-1~{h}-Indazole-5-Carboxylic Acid, ACMC-20abrx, CTK8C1289, DTXSID90646259, ANW-66187, MFCD07781587, ZINC14983421, AKOS016004775, CB-3901, FCH1326961, PB17452, KS-000006P9, AJ-65920, AS-34335, 3-Bromo-indazole-5-carboxylic acid 95+%, AB0038274, AX8236441, RT-019563, ST1100582, CS-0045074, FT-0706722, Y5633, 3-Bromo-1H-indazole-5-carboxylic acid, 97%, Q-1392, 9FE, C8H5BrN2O2,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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