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88148-61-2 | 3-Pyridinecarboxylic acid, 4-(2-bromophenyl)-1,2-dihydro-2-oxo-
CAS No: 88148-61-2 Catalog No: AG004ECX MDL No:
Product Description
Catalog Number:
AG004ECX
Chemical Name:
3-Pyridinecarboxylic acid, 4-(2-bromophenyl)-1,2-dihydro-2-oxo-
CAS Number:
88148-61-2
Molecular Formula:
C12H8BrNO3
Molecular Weight:
294.1008
IUPAC Name:
4-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C12H8BrNO3/c13-9-4-2-1-3-7(9)8-5-6-14-11(15)10(8)12(16)17/h1-6H,(H,14,15)(H,16,17)
InChI Key:
FNHCBAYIRHVHNY-UHFFFAOYSA-N
SMILES:
Brc1ccccc1c1cc[nH]c(=O)c1C(=O)O
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.969g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
294.104g/mol
Monoisotopic Mass:
292.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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