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147078-79-3 | 2-Bromo-4-phenyl-nicotinic acid
CAS No: 147078-79-3 Catalog No: AG01FEXI MDL No:
Product Description
Catalog Number:
AG01FEXI
Chemical Name:
2-Bromo-4-phenyl-nicotinic acid
CAS Number:
147078-79-3
Molecular Formula:
C12H8BrNO2
Molecular Weight:
278.1014
IUPAC Name:
2-bromo-4-phenylpyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8BrNO2/c13-11-10(12(15)16)9(6-7-14-11)8-4-2-1-3-5-8/h1-7H,(H,15,16)
InChI Key:
VKPBLUQYGASBMQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(Br)nccc1c1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.974g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.105g/mol
Monoisotopic Mass:
276.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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