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Home > Nitro Compounds > 2060060-93-5
2060060-93-5 | 1-(1-methanesulfonylethenyl)-3-nitrobenzene
CAS No: 2060060-93-5 Catalog No: AG01BPQW MDL No:MFCD30500527
Product Description
Catalog Number:
AG01BPQW
Chemical Name:
1-(1-methanesulfonylethenyl)-3-nitrobenzene
CAS Number:
2060060-93-5
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
MDL Number:
MFCD30500527
IUPAC Name:
1-(1-methylsulfonylethenyl)-3-nitrobenzene
InChI:
InChI=1S/C9H9NO4S/c1-7(15(2,13)14)8-4-3-5-9(6-8)10(11)12/h3-6H,1H2,2H3
InChI Key:
DLWGBSSTXHNWLF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C(=C)S(=O)(=O)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.234g/mol
Monoisotopic Mass:
227.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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