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87443-31-0 | 4(1H)-Pyridinone, 2-bromo-1-methyl-3,5-diphenyl-
CAS No: 87443-31-0 Catalog No: AG004FUT MDL No:
Product Description
Catalog Number:
AG004FUT
Chemical Name:
4(1H)-Pyridinone, 2-bromo-1-methyl-3,5-diphenyl-
CAS Number:
87443-31-0
Molecular Formula:
C18H14BrNO
Molecular Weight:
340.2139
IUPAC Name:
2-bromo-1-methyl-3,5-diphenylpyridin-4-one
InChI:
InChI=1S/C18H14BrNO/c1-20-12-15(13-8-4-2-5-9-13)17(21)16(18(20)19)14-10-6-3-7-11-14/h2-12H,1H3
InChI Key:
VPBFFKMVXKZRQI-UHFFFAOYSA-N
SMILES:
Cn1cc(c2ccccc2)c(=O)c(c1Br)c1ccccc1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.026g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.22g/mol
Monoisotopic Mass:
339.026g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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