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1000339-23-0 | 4-Pyridinecarboxylic acid, 2-amino-5-bromo-
CAS No: 1000339-23-0 Catalog No: AG0000CP MDL No:MFCD09878357
Product Description
Catalog Number:
AG0000CP
Chemical Name:
4-Pyridinecarboxylic acid, 2-amino-5-bromo-
CAS Number:
1000339-23-0
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD09878357
IUPAC Name:
2-amino-5-bromopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H5BrN2O2/c7-4-2-9-5(8)1-3(4)6(10)11/h1-2H,(H2,8,9)(H,10,11)
InChI Key:
JJJKKHUIIDAXKW-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(c1)C(=O)O)Br
Properties
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:
0.7
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