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1018334-04-7 | Piperidine, 1-[[4-(2-chloroethyl)phenyl]sulfonyl]-
CAS No: 1018334-04-7 Catalog No: AG0005NX MDL No:
Product Description
Catalog Number:
AG0005NX
Chemical Name:
Piperidine, 1-[[4-(2-chloroethyl)phenyl]sulfonyl]-
CAS Number:
1018334-04-7
Molecular Formula:
C13H18ClNO2S
Molecular Weight:
287.8055
IUPAC Name:
1-[4-(2-chloroethyl)phenyl]sulfonylpiperidine
InChI:
InChI=1S/C13H18ClNO2S/c14-9-8-12-4-6-13(7-5-12)18(16,17)15-10-2-1-3-11-15/h4-7H,1-3,8-11H2
InChI Key:
MUPUZDIHMXQLLC-UHFFFAOYSA-N
SMILES:
ClCCc1ccc(cc1)S(=O)(=O)N1CCCCC1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.802g/mol
Monoisotopic Mass:
287.075g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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