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89027-53-2 | Bicyclo[2.2.2]octane, 1-chloro-4-hexyl-
CAS No: 89027-53-2 Catalog No: AG0042R2 MDL No:
Product Description
Catalog Number:
AG0042R2
Chemical Name:
Bicyclo[2.2.2]octane, 1-chloro-4-hexyl-
CAS Number:
89027-53-2
Molecular Formula:
C14H25Cl
Molecular Weight:
228.8013
IUPAC Name:
1-chloro-4-hexylbicyclo[2.2.2]octane
InChI:
InChI=1S/C14H25Cl/c1-2-3-4-5-6-13-7-10-14(15,11-8-13)12-9-13/h2-12H2,1H3
InChI Key:
LVUCLJJDTBEUJG-UHFFFAOYSA-N
SMILES:
CCCCCCC12CCC(CC1)(CC2)Cl
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.164g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.804g/mol
Monoisotopic Mass:
228.164g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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