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88283-36-7 | Ethanone, 1-(4-chloro-2-methoxyphenyl)-2-pyrazinyl-
CAS No: 88283-36-7 Catalog No: AG0049TW MDL No:
Product Description
Catalog Number:
AG0049TW
Chemical Name:
Ethanone, 1-(4-chloro-2-methoxyphenyl)-2-pyrazinyl-
CAS Number:
88283-36-7
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
IUPAC Name:
1-(4-chloro-2-methoxyphenyl)-2-pyrazin-2-ylethanone
InChI:
InChI=1S/C13H11ClN2O2/c1-18-13-6-9(14)2-3-11(13)12(17)7-10-8-15-4-5-16-10/h2-6,8H,7H2,1H3
InChI Key:
MHRMWJSGRQBQPM-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)ccc1C(=O)Cc1cnccn1
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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