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88017-66-7 | Oxirane, 2-(4-chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-, trans-
CAS No: 88017-66-7 Catalog No: AG004NUN MDL No:
Product Description
Catalog Number:
AG004NUN
Chemical Name:
Oxirane, 2-(4-chlorophenyl)-3-[(4-methylphenyl)sulfonyl]-, trans-
CAS Number:
88017-66-7
Molecular Formula:
C15H13ClO3S
Molecular Weight:
308.7799
IUPAC Name:
(2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyloxirane
InChI:
InChI=1S/C15H13ClO3S/c1-10-2-8-13(9-3-10)20(17,18)15-14(19-15)11-4-6-12(16)7-5-11/h2-9,14-15H,1H3/t14-,15-/m0/s1
InChI Key:
WUJRWTRIEJVWDT-GJZGRUSLSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)[C@@H]1O[C@H]1c1ccc(cc1)Cl
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
308.027g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.776g/mol
Monoisotopic Mass:
308.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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