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173199-87-6 | 2(1H)-Pyrazinone, 5-chloro-3-methyl-6-phenyl-1-(phenylmethyl)-
CAS No: 173199-87-6 Catalog No: AG001YOX MDL No:
Product Description
Catalog Number:
AG001YOX
Chemical Name:
2(1H)-Pyrazinone, 5-chloro-3-methyl-6-phenyl-1-(phenylmethyl)-
CAS Number:
173199-87-6
Molecular Formula:
C18H15ClN2O
Molecular Weight:
310.7775
IUPAC Name:
1-benzyl-5-chloro-3-methyl-6-phenylpyrazin-2-one
InChI:
InChI=1S/C18H15ClN2O/c1-13-18(22)21(12-14-8-4-2-5-9-14)16(17(19)20-13)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChI Key:
YTGWEQCEZHXNQF-UHFFFAOYSA-N
SMILES:
O=c1c(C)nc(c(n1Cc1ccccc1)c1ccccc1)Cl
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.087g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.781g/mol
Monoisotopic Mass:
310.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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