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100716-73-2 | Benzene, 1-chloro-4-[(2-phenylethyl)sulfonyl]-
CAS No: 100716-73-2 Catalog No: AG0002PM MDL No:
Product Description
Catalog Number:
AG0002PM
Chemical Name:
Benzene, 1-chloro-4-[(2-phenylethyl)sulfonyl]-
CAS Number:
100716-73-2
Molecular Formula:
C14H13ClO2S
Molecular Weight:
280.7698
IUPAC Name:
1-chloro-4-(2-phenylethylsulfonyl)benzene
InChI:
InChI=1S/C14H13ClO2S/c15-13-6-8-14(9-7-13)18(16,17)11-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChI Key:
OCCWFWRFKLANMZ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)CCc1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.032g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.766g/mol
Monoisotopic Mass:
280.032g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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