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1216625-43-2 | 5-Bromo-6-(1H-imidazol-1-yl)nicotinic acid
CAS No: 1216625-43-2 Catalog No: AG01FB6J MDL No:
Product Description
Catalog Number:
AG01FB6J
Chemical Name:
5-Bromo-6-(1H-imidazol-1-yl)nicotinic acid
CAS Number:
1216625-43-2
Molecular Formula:
C9H6BrN3O2
Molecular Weight:
268.0668
IUPAC Name:
5-bromo-6-imidazol-1-ylpyridine-3-carboxylic acid
InChI:
InChI=1S/C9H6BrN3O2/c10-7-3-6(9(14)15)4-12-8(7)13-2-1-11-5-13/h1-5H,(H,14,15)
InChI Key:
BFAJFHJCTNGAQC-UHFFFAOYSA-N
SMILES:
Brc1cc(cnc1n1cncc1)C(=O)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.07g/mol
Monoisotopic Mass:
266.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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