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Home > Nitro Compounds > 3729-41-7
3729-41-7 | 1-nitro-3-(prop-2-ene-1-sulfonyl)benzene
CAS No: 3729-41-7 Catalog No: AG01EM2V MDL No:
Product Description
Catalog Number:
AG01EM2V
Chemical Name:
1-nitro-3-(prop-2-ene-1-sulfonyl)benzene
CAS Number:
3729-41-7
Molecular Formula:
C9H9NO4S
Molecular Weight:
227.2371
IUPAC Name:
1-nitro-3-prop-2-enylsulfonylbenzene
InChI:
InChI=1S/C9H9NO4S/c1-2-6-15(13,14)9-5-3-4-8(7-9)10(11)12/h2-5,7H,1,6H2
InChI Key:
DFHPXMHXPTWWHK-UHFFFAOYSA-N
SMILES:
C=CCS(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
338
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:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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