200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 955-45-3
955-45-3 | Benzene, 1-nitro-4-(phenylsulfinyl)-
CAS No: 955-45-3 Catalog No: AG00H906 MDL No:
Product Description
Catalog Number:
AG00H906
Chemical Name:
Benzene, 1-nitro-4-(phenylsulfinyl)-
CAS Number:
955-45-3
Molecular Formula:
C12H9NO3S
Molecular Weight:
247.2698
IUPAC Name:
1-(benzenesulfinyl)-4-nitrobenzene
InChI:
InChI=1S/C12H9NO3S/c14-13(15)10-6-8-12(9-7-10)17(16)11-4-2-1-3-5-11/h1-9H
InChI Key:
INHMSYYDYOVSTA-UHFFFAOYSA-N
SMILES:
O=S(c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.03g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.268g/mol
Monoisotopic Mass:
247.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.