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Home > Other Heterocycles > 68569-32-4
68569-32-4 | BICYCLO[2.2.2]OCTANE-2-CARBONYL CHLORIDE
CAS No: 68569-32-4 Catalog No: AG005PB6 MDL No:
Product Description
Catalog Number:
AG005PB6
Chemical Name:
BICYCLO[2.2.2]OCTANE-2-CARBONYL CHLORIDE
CAS Number:
68569-32-4
Molecular Formula:
C9H13ClO
Molecular Weight:
172.6519
IUPAC Name:
bicyclo[2.2.2]octane-2-carbonyl chloride
InChI:
InChI=1S/C9H13ClO/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2
InChI Key:
KCWIFWCZCINQMX-UHFFFAOYSA-N
SMILES:
ClC(=O)C1CC2CCC1CC2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.652g/mol
Monoisotopic Mass:
172.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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