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89027-54-3 | Bicyclo[2.2.2]octane, 1-chloro-4-heptyl-
CAS No: 89027-54-3 Catalog No: AG0044BM MDL No:
Product Description
Catalog Number:
AG0044BM
Chemical Name:
Bicyclo[2.2.2]octane, 1-chloro-4-heptyl-
CAS Number:
89027-54-3
Molecular Formula:
C15H27Cl
Molecular Weight:
242.8279
IUPAC Name:
1-chloro-4-heptylbicyclo[2.2.2]octane
InChI:
InChI=1S/C15H27Cl/c1-2-3-4-5-6-7-14-8-11-15(16,12-9-14)13-10-14/h2-13H2,1H3
InChI Key:
SNXWLFMTRWDKLE-UHFFFAOYSA-N
SMILES:
CCCCCCCC12CCC(CC1)(CC2)Cl
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.18g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.831g/mol
Monoisotopic Mass:
242.18g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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