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115878-49-4 | Benzene, [(1-chloro-3-phenylpropyl)sulfinyl]-
CAS No: 115878-49-4 Catalog No: AG000H1T MDL No:
Product Description
Catalog Number:
AG000H1T
Chemical Name:
Benzene, [(1-chloro-3-phenylpropyl)sulfinyl]-
CAS Number:
115878-49-4
Molecular Formula:
C15H15ClOS
Molecular Weight:
278.7970
IUPAC Name:
[3-(benzenesulfinyl)-3-chloropropyl]benzene
InChI:
InChI=1S/C15H15ClOS/c16-15(12-11-13-7-3-1-4-8-13)18(17)14-9-5-2-6-10-14/h1-10,15H,11-12H2
InChI Key:
BIAJWVWGDKYGOC-UHFFFAOYSA-N
SMILES:
ClC(S(=O)c1ccccc1)CCc1ccccc1
Properties
Complexity:
257
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:
5
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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