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14633-41-1 | Pentane, 1-(butylsulfonyl)-5-chloro-
CAS No: 14633-41-1 Catalog No: AG001DX3 MDL No:
Product Description
Catalog Number:
AG001DX3
Chemical Name:
Pentane, 1-(butylsulfonyl)-5-chloro-
CAS Number:
14633-41-1
Molecular Formula:
C9H19ClO2S
Molecular Weight:
226.7640
IUPAC Name:
1-butylsulfonyl-5-chloropentane
InChI:
InChI=1S/C9H19ClO2S/c1-2-3-8-13(11,12)9-6-4-5-7-10/h2-9H2,1H3
InChI Key:
LBBLOMCQNFRZSP-UHFFFAOYSA-N
SMILES:
CCCCS(=O)(=O)CCCCCCl
NSC Number:
140303
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.759g/mol
Monoisotopic Mass:
226.079g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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