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88136-89-4 | 4(1H)-Pyrimidinone, 2-phenyl-6-(phenylmethyl)-
CAS No: 88136-89-4 Catalog No: AG004FBX MDL No:
Product Description
Catalog Number:
AG004FBX
Chemical Name:
4(1H)-Pyrimidinone, 2-phenyl-6-(phenylmethyl)-
CAS Number:
88136-89-4
Molecular Formula:
C17H14N2O
Molecular Weight:
262.3059
IUPAC Name:
4-benzyl-2-phenyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C17H14N2O/c20-16-12-15(11-13-7-3-1-4-8-13)18-17(19-16)14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,19,20)
InChI Key:
OWXRBIXDSPCNQJ-UHFFFAOYSA-N
SMILES:
O=c1cc(Cc2ccccc2)[nH]c(n1)c1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.312g/mol
Monoisotopic Mass:
262.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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