2-Amino-5-bromonicotinic Acid Hydrobromide - CAS 52963-33-4

Catalog:	BB028005
Product Name:	2-Amino-5-bromonicotinic Acid Hydrobromide
CAS:	52963-33-4
Synonyms:	2-amino-5-bromo-3-pyridinecarboxylic acid;hydrobromide; 2-amino-5-bromopyridine-3-carboxylic acid;hydrobromide

Technical Data

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Computed Properties

IUPAC Name:	2-amino-5-bromopyridine-3-carboxylic acid;hydrobromide
Description:	2-Amino-5-bromonicotinic Acid Hydrobromide (CAS# 52963-33-4) is a useful research chemical compound.
Molecular Weight:	297.93
Molecular Formula:	C6H6Br2N2O2
Canonical SMILES:	C1=C(C(=NC=C1Br)N)C(=O)O.Br
InChI:	InChI=1S/C6H5BrN2O2.BrH/c7-3-1-4(6(10)11)5(8)9-2-3;/h1-2H,(H2,8,9)(H,10,11);1H
InChI Key:	DNVXDRLDHLVGDY-UHFFFAOYSA-N
MDL:	MFCD12131125
LogP:	2.66380

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Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.87755
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	295.8796
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0