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Home > Nitro Compounds > 113591-42-7
113591-42-7 | Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS No: 113591-42-7 Catalog No: AG00092N MDL No:
Product Description
Catalog Number:
AG00092N
Chemical Name:
Benzenesulfonamide, 4-nitro-N-(4-oxo-2,5-cyclohexadien-1-ylidene)-
CAS Number:
113591-42-7
Molecular Formula:
C12H8N2O5S
Molecular Weight:
292.2673
IUPAC Name:
4-nitro-N-(4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
InChI:
InChI=1S/C12H8N2O5S/c15-11-5-1-9(2-6-11)13-20(18,19)12-7-3-10(4-8-12)14(16)17/h1-8H
InChI Key:
JCLMXQYNTVLZQS-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=NS(=O)(=O)c2ccc(cc2)[N+](=O)[O-])C=C1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.015g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.265g/mol
Monoisotopic Mass:
292.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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