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175202-99-0 | Cyclohexanone, 2-[2-[(4-chlorophenyl)sulfonyl]ethyl]-
CAS No: 175202-99-0 Catalog No: AG0020IX MDL No:MFCD00068004
Product Description
Catalog Number:
AG0020IX
Chemical Name:
Cyclohexanone, 2-[2-[(4-chlorophenyl)sulfonyl]ethyl]-
CAS Number:
175202-99-0
Molecular Formula:
C14H17ClO3S
Molecular Weight:
300.8010
MDL Number:
MFCD00068004
IUPAC Name:
2-[2-(4-chlorophenyl)sulfonylethyl]cyclohexan-1-one
InChI:
InChI=1S/C14H17ClO3S/c15-12-5-7-13(8-6-12)19(17,18)10-9-11-3-1-2-4-14(11)16/h5-8,11H,1-4,9-10H2
InChI Key:
OIOAWAGTALHADQ-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CCS(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.797g/mol
Monoisotopic Mass:
300.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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