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1016-82-6 | Benzene, 1-chloro-4-(phenylsulfinyl)-
CAS No: 1016-82-6 Catalog No: AG0004Y0 MDL No:
Product Description
Catalog Number:
AG0004Y0
Chemical Name:
Benzene, 1-chloro-4-(phenylsulfinyl)-
CAS Number:
1016-82-6
Molecular Formula:
C12H9ClOS
Molecular Weight:
236.7173
IUPAC Name:
1-(benzenesulfinyl)-4-chlorobenzene
InChI:
InChI=1S/C12H9ClOS/c13-10-6-8-12(9-7-10)15(14)11-4-2-1-3-5-11/h1-9H
InChI Key:
XRVFHWFVEIJJKX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)c1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.713g/mol
Monoisotopic Mass:
236.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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