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14633-40-0 | Benzene, [[(5-chloropentyl)sulfonyl]methyl]-
CAS No: 14633-40-0 Catalog No: AG001DX4 MDL No:
Product Description
Catalog Number:
AG001DX4
Chemical Name:
Benzene, [[(5-chloropentyl)sulfonyl]methyl]-
CAS Number:
14633-40-0
Molecular Formula:
C12H17ClO2S
Molecular Weight:
260.7802
IUPAC Name:
5-chloropentylsulfonylmethylbenzene
InChI:
InChI=1S/C12H17ClO2S/c13-9-5-2-6-10-16(14,15)11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2
InChI Key:
UYEWUSDKYMQCOU-UHFFFAOYSA-N
SMILES:
ClCCCCCS(=O)(=O)Cc1ccccc1
NSC Number:
140300
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.776g/mol
Monoisotopic Mass:
260.064g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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