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Home > Other Heterocycles > 1803596-85-1
1803596-85-1 | {bicyclo[2.2.2]octan-1-yl}methanesulfonyl chloride
CAS No: 1803596-85-1 Catalog No: AG01AM2D MDL No:
Product Description
Catalog Number:
AG01AM2D
Chemical Name:
{bicyclo[2.2.2]octan-1-yl}methanesulfonyl chloride
CAS Number:
1803596-85-1
Molecular Formula:
C9H15ClO2S
Molecular Weight:
222.7322
IUPAC Name:
1-bicyclo[2.2.2]octanylmethanesulfonyl chloride
InChI:
InChI=1S/C9H15ClO2S/c10-13(11,12)7-9-4-1-8(2-5-9)3-6-9/h8H,1-7H2
InChI Key:
WFNMTXBKSKVCOM-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)CC12CCC(CC1)CC2
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.048g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.727g/mol
Monoisotopic Mass:
222.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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