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139706-43-7 | 2(1H)-Pyrazinone, 5-chloro-3-(diethylamino)-6-methyl-1-phenyl-
CAS No: 139706-43-7 Catalog No: AG001BK0 MDL No:
Product Description
Catalog Number:
AG001BK0
Chemical Name:
2(1H)-Pyrazinone, 5-chloro-3-(diethylamino)-6-methyl-1-phenyl-
CAS Number:
139706-43-7
Molecular Formula:
C15H18ClN3O
Molecular Weight:
291.7759
IUPAC Name:
5-chloro-3-(diethylamino)-6-methyl-1-phenylpyrazin-2-one
InChI:
InChI=1S/C15H18ClN3O/c1-4-18(5-2)14-15(20)19(11(3)13(16)17-14)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChI Key:
VQFNSHOYSZFPNN-UHFFFAOYSA-N
SMILES:
CCN(c1nc(Cl)c(n(c1=O)c1ccccc1)C)CC
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.114g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.779g/mol
Monoisotopic Mass:
291.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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