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28567-83-1 | 2(1H)-Pyrimidinone, 5-chloro-4,6-diphenyl-
CAS No: 28567-83-1 Catalog No: AG002VQH MDL No:
Product Description
Catalog Number:
AG002VQH
Chemical Name:
2(1H)-Pyrimidinone, 5-chloro-4,6-diphenyl-
CAS Number:
28567-83-1
Molecular Formula:
C16H11ClN2O
Molecular Weight:
282.7243
IUPAC Name:
5-chloro-4,6-diphenyl-1H-pyrimidin-2-one
InChI:
InChI=1S/C16H11ClN2O/c17-13-14(11-7-3-1-4-8-11)18-16(20)19-15(13)12-9-5-2-6-10-12/h1-10H,(H,18,19,20)
InChI Key:
COIBSBJHKOXDAM-UHFFFAOYSA-N
SMILES:
O=c1nc(c2ccccc2)c(c([nH]1)c1ccccc1)Cl
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.727g/mol
Monoisotopic Mass:
282.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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