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20551-31-9 | 4(3H)-Pyrimidinone, 5-chloro-6-methyl-2-phenyl-
CAS No: 20551-31-9 Catalog No: AG002A5D MDL No:MFCD00232127
Product Description
Catalog Number:
AG002A5D
Chemical Name:
4(3H)-Pyrimidinone, 5-chloro-6-methyl-2-phenyl-
CAS Number:
20551-31-9
Molecular Formula:
C11H9ClN2O
Molecular Weight:
220.6550
MDL Number:
MFCD00232127
IUPAC Name:
5-chloro-4-methyl-2-phenyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C11H9ClN2O/c1-7-9(12)11(15)14-10(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,15)
InChI Key:
FSFGWEAQHSZNKB-UHFFFAOYSA-N
SMILES:
Cc1nc([nH]c(=O)c1Cl)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.04g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.656g/mol
Monoisotopic Mass:
220.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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