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3085-42-5 | Benzene, 1,1'-sulfinylbis[4-chloro-
CAS No: 3085-42-5 Catalog No: AG0031I6 MDL No:MFCD00000618
Product Description
Catalog Number:
AG0031I6
Chemical Name:
Benzene, 1,1'-sulfinylbis[4-chloro-
CAS Number:
3085-42-5
Molecular Formula:
C12H8Cl2OS
Molecular Weight:
271.1623
MDL Number:
MFCD00000618
IUPAC Name:
1-chloro-4-(4-chlorophenyl)sulfinylbenzene
InChI:
InChI=1S/C12H8Cl2OS/c13-9-1-5-11(6-2-9)16(15)12-7-3-10(14)4-8-12/h1-8H
InChI Key:
KJGYFISADIZFEL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)c1ccc(cc1)Cl
EC Number:
221-397-9
NSC Number:
406205
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.967g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.155g/mol
Monoisotopic Mass:
269.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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