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835879-78-2 | Methanone, (2,5-dichlorophenyl)(4-mercaptophenyl)-
CAS No: 835879-78-2 Catalog No: AG004YW0 MDL No:
Product Description
Catalog Number:
AG004YW0
Chemical Name:
Methanone, (2,5-dichlorophenyl)(4-mercaptophenyl)-
CAS Number:
835879-78-2
Molecular Formula:
C13H8Cl2OS
Molecular Weight:
283.1730
IUPAC Name:
(2,5-dichlorophenyl)-(4-sulfanylphenyl)methanone
InChI:
InChI=1S/C13H8Cl2OS/c14-9-3-6-12(15)11(7-9)13(16)8-1-4-10(17)5-2-8/h1-7,17H
InChI Key:
CVINKEWIEUOFLR-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1)C(=O)c1cc(Cl)ccc1Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.967g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.166g/mol
Monoisotopic Mass:
281.967g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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