200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2976-30-9
2976-30-9 | Benzene, 1-(methylsulfonyl)-4-nitro-
CAS No: 2976-30-9 Catalog No: AG002ZBV MDL No:MFCD00047803
Product Description
Catalog Number:
AG002ZBV
Chemical Name:
Benzene, 1-(methylsulfonyl)-4-nitro-
CAS Number:
2976-30-9
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD00047803
IUPAC Name:
1-methylsulfonyl-4-nitrobenzene
InChI:
InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key:
XONGBDXIFQIQBN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)C
NSC Number:
87342
Properties
Complexity:
279
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:
1.3
Literature
| Title | Journal |
|---|---|
| 1-Methyl-sulfon-yl-4-nitro-benzene. | Acta crystallographica. Section E, Structure reports online 20081201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.