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116386-53-9 | Benzene, 1-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]-4-methyl-
CAS No: 116386-53-9 Catalog No: AG000CCW MDL No:
Product Description
Catalog Number:
AG000CCW
Chemical Name:
Benzene, 1-[(R)-[(1R)-1-chloro-2-phenylethyl]sulfinyl]-4-methyl-
CAS Number:
116386-53-9
Molecular Formula:
C15H15ClOS
Molecular Weight:
278.7970
IUPAC Name:
1-(1-chloro-2-phenylethyl)sulfinyl-4-methylbenzene
InChI:
InChI=1S/C15H15ClOS/c1-12-7-9-14(10-8-12)18(17)15(16)11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChI Key:
QLUDKOFHYWTTLH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)[S@@](=O)[C@@H](Cc1ccccc1)Cl
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.794g/mol
Monoisotopic Mass:
278.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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