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82129-60-0 | 4(1H)-Pyridinone, 3-acetyl-5-(3-bromophenyl)-1-methyl-
CAS No: 82129-60-0 Catalog No: AG004W6E MDL No:
Product Description
Catalog Number:
AG004W6E
Chemical Name:
4(1H)-Pyridinone, 3-acetyl-5-(3-bromophenyl)-1-methyl-
CAS Number:
82129-60-0
Molecular Formula:
C14H12BrNO2
Molecular Weight:
306.1546
IUPAC Name:
3-acetyl-5-(3-bromophenyl)-1-methylpyridin-4-one
InChI:
InChI=1S/C14H12BrNO2/c1-9(17)12-7-16(2)8-13(14(12)18)10-4-3-5-11(15)6-10/h3-8H,1-2H3
InChI Key:
MUGQQTWVMRLAAC-UHFFFAOYSA-N
SMILES:
Cn1cc(C(=O)C)c(=O)c(c1)c1cccc(c1)Br
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.005g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.159g/mol
Monoisotopic Mass:
305.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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