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Home > Nitro Compounds > 478042-68-1
478042-68-1 | (E)-[2-(benzenesulfonyl)-2-nitroethylidene](methyl)oxidoazanium
CAS No: 478042-68-1 Catalog No: AG00IP2G MDL No:MFCD00794261
Product Description
Catalog Number:
AG00IP2G
Chemical Name:
(E)-[2-(benzenesulfonyl)-2-nitroethylidene](methyl)oxidoazanium
CAS Number:
478042-68-1
Molecular Formula:
C9H10N2O5S
Molecular Weight:
258.2511
MDL Number:
MFCD00794261
IUPAC Name:
2-(benzenesulfonyl)-N-methyl-2-nitroethanimine oxide
InChI:
InChI=1S/C9H10N2O5S/c1-10(12)7-9(11(13)14)17(15,16)8-5-3-2-4-6-8/h2-7,9H,1H3
InChI Key:
DDENWOSXLNBNKU-UHFFFAOYSA-N
SMILES:
O=S(=O)(C([N+](=O)[O-])/C=[N+](\C)/[O-])c1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.031g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
0.4
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