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190317-40-9 | 1,1'-Biphenyl, 2,3',4',5'-tetrachloro-3-(methylsulfonyl)-
CAS No: 190317-40-9 Catalog No: AG002EHT MDL No:
Product Description
Catalog Number:
AG002EHT
Chemical Name:
1,1'-Biphenyl, 2,3',4',5'-tetrachloro-3-(methylsulfonyl)-
CAS Number:
190317-40-9
Molecular Formula:
C13H8Cl4O2S
Molecular Weight:
370.0784
IUPAC Name:
1,2,3-trichloro-5-(2-chloro-3-methylsulfonylphenyl)benzene
InChI:
InChI=1S/C13H8Cl4O2S/c1-20(18,19)11-4-2-3-8(12(11)16)7-5-9(14)13(17)10(15)6-7/h2-6H,1H3
InChI Key:
CMAFJFKONGAPQD-UHFFFAOYSA-N
SMILES:
Clc1c(cccc1S(=O)(=O)C)c1cc(Cl)c(c(c1)Cl)Cl
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.897g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.065g/mol
Monoisotopic Mass:
367.9g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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