200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 261924-46-3
261924-46-3 | Benzene, 1-[(methylsulfonyl)methyl]-3-nitro-
CAS No: 261924-46-3 Catalog No: AG002S63 MDL No:MFCD28369559
Product Description
Catalog Number:
AG002S63
Chemical Name:
Benzene, 1-[(methylsulfonyl)methyl]-3-nitro-
CAS Number:
261924-46-3
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD28369559
IUPAC Name:
1-(methylsulfonylmethyl)-3-nitrobenzene
InChI:
InChI=1S/C8H9NO4S/c1-14(12,13)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3
InChI Key:
NDFOSCHZAAFGGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)CS(=O)(=O)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.