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101241-44-5 | Benzene, 1-chloro-4-nitro-2-(phenylsulfinyl)-
CAS No: 101241-44-5 Catalog No: AG000410 MDL No:
Product Description
Catalog Number:
AG000410
Chemical Name:
Benzene, 1-chloro-4-nitro-2-(phenylsulfinyl)-
CAS Number:
101241-44-5
Molecular Formula:
C12H8ClNO3S
Molecular Weight:
281.7148
IUPAC Name:
2-(benzenesulfinyl)-1-chloro-4-nitrobenzene
InChI:
InChI=1S/C12H8ClNO3S/c13-11-7-6-9(14(15)16)8-12(11)18(17)10-4-2-1-3-5-10/h1-8H
InChI Key:
SWZBXPGIENHQDK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1S(=O)c1ccccc1)[N+](=O)[O-]
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.991g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.71g/mol
Monoisotopic Mass:
280.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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