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88221-61-8 | Ethanone, 2-chloro-1-(3-methyl-1,4-dioxido-2-quinoxalinyl)-
CAS No: 88221-61-8 Catalog No: AG004BFV MDL No:
Product Description
Catalog Number:
AG004BFV
Chemical Name:
Ethanone, 2-chloro-1-(3-methyl-1,4-dioxido-2-quinoxalinyl)-
CAS Number:
88221-61-8
Molecular Formula:
C11H9ClN2O3
Molecular Weight:
252.6538
IUPAC Name:
2-chloro-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
InChI:
InChI=1S/C11H9ClN2O3/c1-7-11(10(15)6-12)14(17)9-5-3-2-4-8(9)13(7)16/h2-5H,6H2,1H3
InChI Key:
WIOOCEBJNPYXJK-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1c(C)[n+]([O-])c2c([n+]1[O-])cccc2
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.654g/mol
Monoisotopic Mass:
252.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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