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81485-18-9 | 3-Phenyl-2-formyl-quinoxaline 1,4-dioxide
CAS No: 81485-18-9 Catalog No: AG005K9V MDL No:
Product Description
Catalog Number:
AG005K9V
Chemical Name:
3-Phenyl-2-formyl-quinoxaline 1,4-dioxide
CAS Number:
81485-18-9
Molecular Formula:
C15H10N2O3
Molecular Weight:
266.2515
IUPAC Name:
1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carbaldehyde
InChI:
InChI=1S/C15H10N2O3/c18-10-14-15(11-6-2-1-3-7-11)17(20)13-9-5-4-8-12(13)16(14)19/h1-10H
InChI Key:
FCZVWICVFFQUNR-UHFFFAOYSA-N
SMILES:
O=Cc1[n+]([O-])c2ccccc2[n+](c1c1ccccc1)[O-]
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.256g/mol
Monoisotopic Mass:
266.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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