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116807-46-6 | 1,1'-Biphenyl, 2,5-dichloro-3-(methylsulfonyl)-
CAS No: 116807-46-6 Catalog No: AG000D8U MDL No:
Product Description
Catalog Number:
AG000D8U
Chemical Name:
1,1'-Biphenyl, 2,5-dichloro-3-(methylsulfonyl)-
CAS Number:
116807-46-6
Molecular Formula:
C13H10Cl2O2S
Molecular Weight:
301.1883
IUPAC Name:
2,5-dichloro-1-methylsulfonyl-3-phenylbenzene
InChI:
InChI=1S/C13H10Cl2O2S/c1-18(16,17)12-8-10(14)7-11(13(12)15)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
KDWWYQFCINWCRS-UHFFFAOYSA-N
SMILES:
Clc1cc(c2ccccc2)c(c(c1)S(=O)(=O)C)Cl
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.978g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.181g/mol
Monoisotopic Mass:
299.978g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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