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1333222-40-4 | Pyrazine, 2-(3-chloro-5-methoxyphenyl)-6-ethoxy-
CAS No: 1333222-40-4 Catalog No: AG0014MT MDL No:
Product Description
Catalog Number:
AG0014MT
Chemical Name:
Pyrazine, 2-(3-chloro-5-methoxyphenyl)-6-ethoxy-
CAS Number:
1333222-40-4
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
2-(3-chloro-5-methoxyphenyl)-6-ethoxypyrazine
InChI:
InChI=1S/C13H13ClN2O2/c1-3-18-13-8-15-7-12(16-13)9-4-10(14)6-11(5-9)17-2/h4-8H,3H2,1-2H3
InChI Key:
BHQHQWIQAFSDES-UHFFFAOYSA-N
SMILES:
CCOc1cncc(n1)c1cc(Cl)cc(c1)OC
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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