200,000+ products from a single source!
sales@angenechem.com
86434-25-5 | Benzene, 2-chloro-1-nitro-4-[(phenylsulfonyl)methyl]-
CAS No: 86434-25-5 Catalog No: AG004XAJ MDL No:
Product Description
Catalog Number:
AG004XAJ
Chemical Name:
Benzene, 2-chloro-1-nitro-4-[(phenylsulfonyl)methyl]-
CAS Number:
86434-25-5
Molecular Formula:
C13H10ClNO4S
Molecular Weight:
311.7408
IUPAC Name:
4-(benzenesulfonylmethyl)-2-chloro-1-nitrobenzene
InChI:
InChI=1S/C13H10ClNO4S/c14-12-8-10(6-7-13(12)15(16)17)9-20(18,19)11-4-2-1-3-5-11/h1-8H,9H2
InChI Key:
JKHWKWZAPJRBKQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1Cl)CS(=O)(=O)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.002g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.736g/mol
Monoisotopic Mass:
311.002g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.