AG00373V

52834-08-9 | 4-Amino-5-bromonicotinic acid

AG00373V

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CAS Number	52834-08-9
Catalog Number	AG00373V(AGN-PC-03CGBZ)
Chemical Name	4-Amino-5-bromonicotinic acid
IUPAC Name	4-amino-5-bromopyridine-3-carboxylic acid
InChI	InChI=1S/C6H5BrN2O2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChI Key	HMWXBQBQGAZHEU-UHFFFAOYSA-N
MDL Number	MFCD09839294
Molecular Formula	C6H5BrN2O2
Molecular Weight	217.0201
SMILES	NC1=C(C=NC=C1C(=O)O)Br
Synonyms	4-Amino-5-bromonicotinic acid, 52834-08-9, 4-Amino-5-bromo nicotinic acid, 4-Amino-5-bromopyridine-3-carboxylic acid, 4-amino-5-bromo-3-pyridinecarboxylic acid, 3-Pyridinecarboxylicacid, 4-amino-5-bromo-, AK112514, PubChem6655, SCHEMBL465860, CTK1G9092, DTXSID10615664, HMWXBQBQGAZHEU-UHFFFAOYSA-N, MFCD09839294, ZINC21982013, AKOS015891795, AB53577, ACN-031426, CS-W006865, FCH1394122, FS-3749, MP-0454, BC003173, CJ-17035, SC-49165, AB0065676, AX8093917, DB-071589, ST2418104, 4CH-015772, FT-0652377, Z4830, KS-00000581, 4-azanyl-5-bromanyl-pyridine-3-carboxylic acid, A829271, I02-1414, C6H5BrN2O2, 4-AMINO-5-BROMONICOTINICACID, 3-Pyridinecarboxylic acid, 4-amino-5-bromo-,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.953g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.022g/mol
Monoisotopic Mass	215.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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