200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 86434-30-2
86434-30-2 | Benzene, 4-methyl-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS No: 86434-30-2 Catalog No: AG004QV6 MDL No:
Product Description
Catalog Number:
AG004QV6
Chemical Name:
Benzene, 4-methyl-2-nitro-1-[(phenylsulfonyl)methyl]-
CAS Number:
86434-30-2
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
IUPAC Name:
1-(benzenesulfonylmethyl)-4-methyl-2-nitrobenzene
InChI:
InChI=1S/C14H13NO4S/c1-11-7-8-12(14(9-11)15(16)17)10-20(18,19)13-5-3-2-4-6-13/h2-9H,10H2,1H3
InChI Key:
BEGBFEINIXYYMN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)[N+](=O)[O-])CS(=O)(=O)c1ccccc1
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.