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83227-49-0 | Ethanone,1-(4-chlorophenyl)-2-(2-pyrazinyl)-
CAS No: 83227-49-0 Catalog No: AG004YYW MDL No:
Product Description
Catalog Number:
AG004YYW
Chemical Name:
Ethanone,1-(4-chlorophenyl)-2-(2-pyrazinyl)-
CAS Number:
83227-49-0
Molecular Formula:
C12H9ClN2O
Molecular Weight:
232.6657
IUPAC Name:
1-(4-chlorophenyl)-2-pyrazin-2-ylethanone
InChI:
InChI=1S/C12H9ClN2O/c13-10-3-1-9(2-4-10)12(16)7-11-8-14-5-6-15-11/h1-6,8H,7H2
InChI Key:
KBCBKIPUEHCLJB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Cc1cnccn1
NSC Number:
42889
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.667g/mol
Monoisotopic Mass:
232.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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