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879131-35-8 | Pyrazinecarboxamide, 6-chloro-N-(3,5-dimethoxyphenyl)-
CAS No: 879131-35-8 Catalog No: AG004DR8 MDL No:
Product Description
Catalog Number:
AG004DR8
Chemical Name:
Pyrazinecarboxamide, 6-chloro-N-(3,5-dimethoxyphenyl)-
CAS Number:
879131-35-8
Molecular Formula:
C13H12ClN3O3
Molecular Weight:
293.7057
IUPAC Name:
6-chloro-N-(3,5-dimethoxyphenyl)pyrazine-2-carboxamide
InChI:
InChI=1S/C13H12ClN3O3/c1-19-9-3-8(4-10(5-9)20-2)16-13(18)11-6-15-7-12(14)17-11/h3-7H,1-2H3,(H,16,18)
InChI Key:
QJPLADKYNAXFBN-UHFFFAOYSA-N
SMILES:
COc1cc(NC(=O)c2cncc(n2)Cl)cc(c1)OC
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.707g/mol
Monoisotopic Mass:
293.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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