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1242336-80-6 | 4-Pyridinecarboxylic acid, 5-amino-2-bromo-
CAS No: 1242336-80-6 Catalog No: AG000LQ2 MDL No:MFCD17016120
Product Description
Catalog Number:
AG000LQ2
Chemical Name:
4-Pyridinecarboxylic acid, 5-amino-2-bromo-
CAS Number:
1242336-80-6
Molecular Formula:
C6H5BrN2O2
Molecular Weight:
217.0201
MDL Number:
MFCD17016120
IUPAC Name:
5-amino-2-bromopyridine-4-carboxylic acid
InChI:
InChI=1S/C6H5BrN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)
InChI Key:
TZANKVNNHOWWKK-UHFFFAOYSA-N
SMILES:
Brc1ncc(c(c1)C(=O)O)N
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:
1.3
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