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89448-41-9

89448-41-9 | Bicyclo[3.1.1]heptan-2-one, 1-chloro-

CAS No: 89448-41-9 Catalog No: AG0044EQ MDL No:

Product Description

Catalog Number:
AG0044EQ
Chemical Name:
Bicyclo[3.1.1]heptan-2-one, 1-chloro-
CAS Number:
89448-41-9
Molecular Formula:
C7H9ClO
Molecular Weight:
144.5988
IUPAC Name:
1-chlorobicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C7H9ClO/c8-7-3-5(4-7)1-2-6(7)9/h5H,1-4H2
InChI Key:
OJZFGJLBYJSZDG-UHFFFAOYSA-N
SMILES:
O=C1CCC2CC1(Cl)C2

Properties

Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.034g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.598g/mol
Monoisotopic Mass:
144.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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