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89215-51-0 | Bicyclo[5.1.0]octan-2-one, 8,8-dichloro-, cis-
CAS No: 89215-51-0 Catalog No: AG0045GL MDL No:
Product Description
Catalog Number:
AG0045GL
Chemical Name:
Bicyclo[5.1.0]octan-2-one, 8,8-dichloro-, cis-
CAS Number:
89215-51-0
Molecular Formula:
C8H10Cl2O
Molecular Weight:
193.0704
IUPAC Name:
(1R,7R)-8,8-dichlorobicyclo[5.1.0]octan-2-one
InChI:
InChI=1S/C8H10Cl2O/c9-8(10)5-3-1-2-4-6(11)7(5)8/h5,7H,1-4H2/t5-,7-/m1/s1
InChI Key:
DKBJVAAHFWNZLC-IYSWYEEDSA-N
SMILES:
O=C1CCCC[C@@H]2[C@H]1C2(Cl)Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
192.011g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.067g/mol
Monoisotopic Mass:
192.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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