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139706-32-4 | 2(1H)-Pyrazinone, 5-chloro-3-(diethylamino)-1-phenyl-
CAS No: 139706-32-4 Catalog No: AG001BK1 MDL No:
Product Description
Catalog Number:
AG001BK1
Chemical Name:
2(1H)-Pyrazinone, 5-chloro-3-(diethylamino)-1-phenyl-
CAS Number:
139706-32-4
Molecular Formula:
C14H16ClN3O
Molecular Weight:
277.7493
IUPAC Name:
5-chloro-3-(diethylamino)-1-phenylpyrazin-2-one
InChI:
InChI=1S/C14H16ClN3O/c1-3-17(4-2)13-14(19)18(10-12(15)16-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
InChI Key:
SUUUXPIJNMVZJQ-UHFFFAOYSA-N
SMILES:
CCN(c1nc(Cl)cn(c1=O)c1ccccc1)CC
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.098g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.752g/mol
Monoisotopic Mass:
277.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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