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121512-59-2 | 2-Quinoxalineacetonitrile, 3-chloro-α-[(4-methylphenyl)sulfonyl]-
CAS No: 121512-59-2 Catalog No: AG00154G MDL No:MFCD02181791
Product Description
Catalog Number:
AG00154G
Chemical Name:
2-Quinoxalineacetonitrile, 3-chloro-α-[(4-methylphenyl)sulfonyl]-
CAS Number:
121512-59-2
Molecular Formula:
C17H12ClN3O2S
Molecular Weight:
357.8141
MDL Number:
MFCD02181791
IUPAC Name:
2-(3-chloroquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile
InChI:
InChI=1S/C17H12ClN3O2S/c1-11-6-8-12(9-7-11)24(22,23)15(10-19)16-17(18)21-14-5-3-2-4-13(14)20-16/h2-9,15H,1H3
InChI Key:
OKSFNMZZGILCOI-UHFFFAOYSA-N
SMILES:
N#CC(S(=O)(=O)c1ccc(cc1)C)c1nc2ccccc2nc1Cl
Properties
Complexity:
589
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.034g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.812g/mol
Monoisotopic Mass:
357.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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