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173199-86-5 | 2(1H)-Pyrazinone, 5-chloro-3-methyl-1-(phenylmethyl)-
CAS No: 173199-86-5 Catalog No: AG001YOY MDL No:
Product Description
Catalog Number:
AG001YOY
Chemical Name:
2(1H)-Pyrazinone, 5-chloro-3-methyl-1-(phenylmethyl)-
CAS Number:
173199-86-5
Molecular Formula:
C12H11ClN2O
Molecular Weight:
234.6815
IUPAC Name:
1-benzyl-5-chloro-3-methylpyrazin-2-one
InChI:
InChI=1S/C12H11ClN2O/c1-9-12(16)15(8-11(13)14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChI Key:
FTBMIDYCWVURBF-UHFFFAOYSA-N
SMILES:
Clc1cn(Cc2ccccc2)c(=O)c(n1)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.056g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.683g/mol
Monoisotopic Mass:
234.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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