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Home > Other Heterocycles > 82355-95-1
82355-95-1 | Benzoyl chloride, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)-
CAS No: 82355-95-1 Catalog No: AG004YMR MDL No:
Product Description
Catalog Number:
AG004YMR
Chemical Name:
Benzoyl chloride, 4-(4-hexylbicyclo[2.2.2]oct-1-yl)-
CAS Number:
82355-95-1
Molecular Formula:
C21H29ClO
Molecular Weight:
332.9074
IUPAC Name:
4-(4-hexyl-1-bicyclo[2.2.2]octanyl)benzoyl chloride
InChI:
InChI=1S/C21H29ClO/c1-2-3-4-5-10-20-11-14-21(15-12-20,16-13-20)18-8-6-17(7-9-18)19(22)23/h6-9H,2-5,10-16H2,1H3
InChI Key:
FMAQVLLERWPBDP-UHFFFAOYSA-N
SMILES:
CCCCCCC12CCC(CC1)(CC2)c1ccc(cc1)C(=O)Cl
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.912g/mol
Monoisotopic Mass:
332.191g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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