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1194687-77-8 | 2-Pyrazinecarboxamide, 6-chloro-N-[3-(1-methylethoxy)phenyl]-
CAS No: 1194687-77-8 Catalog No: AG000P7N MDL No:
Product Description
Catalog Number:
AG000P7N
Chemical Name:
2-Pyrazinecarboxamide, 6-chloro-N-[3-(1-methylethoxy)phenyl]-
CAS Number:
1194687-77-8
Molecular Formula:
C14H14ClN3O2
Molecular Weight:
291.7329
IUPAC Name:
6-chloro-N-(3-propan-2-yloxyphenyl)pyrazine-2-carboxamide
InChI:
InChI=1S/C14H14ClN3O2/c1-9(2)20-11-5-3-4-10(6-11)17-14(19)12-7-16-8-13(15)18-12/h3-9H,1-2H3,(H,17,19)
InChI Key:
GMNKLGQYDACFPS-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)NC(=O)c1cncc(n1)Cl)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.077g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.735g/mol
Monoisotopic Mass:
291.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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