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Home > Nitro Compounds > 2976-32-1
2976-32-1 | Benzene, 1-(methylsulfonyl)-3-nitro-
CAS No: 2976-32-1 Catalog No: AG002ZBU MDL No:MFCD00091590
Product Description
Catalog Number:
AG002ZBU
Chemical Name:
Benzene, 1-(methylsulfonyl)-3-nitro-
CAS Number:
2976-32-1
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD00091590
IUPAC Name:
1-methylsulfonyl-3-nitrobenzene
InChI:
InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-3-6(5-7)8(9)10/h2-5H,1H3
InChI Key:
FTJMAAWQEAOBBI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| [Screening of new 2,4- and 2,6-dinitroaniline derivates for phytotoxicity and antimitotic activity]. | TSitologiia i genetika 20090101 |
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