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89467-88-9 | Bicyclo[4.1.0]heptan-2-one, 7,7-dichloro-6-methyl-
CAS No: 89467-88-9 Catalog No: AG0042AD MDL No:
Product Description
Catalog Number:
AG0042AD
Chemical Name:
Bicyclo[4.1.0]heptan-2-one, 7,7-dichloro-6-methyl-
CAS Number:
89467-88-9
Molecular Formula:
C8H10Cl2O
Molecular Weight:
193.0704
IUPAC Name:
7,7-dichloro-6-methylbicyclo[4.1.0]heptan-2-one
InChI:
InChI=1S/C8H10Cl2O/c1-7-4-2-3-5(11)6(7)8(7,9)10/h6H,2-4H2,1H3
InChI Key:
NVBRXYMRBWYEFI-UHFFFAOYSA-N
SMILES:
O=C1CCCC2(C1C2(Cl)Cl)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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