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Home Other Building Blocks 2-Chlorocyclohexanone

2-Chlorocyclohexanone

CAS No.:
822-87-7
Catalog Number:
AG003H24
Molecular Formula:
C6H9ClO
Molecular Weight:
132.5881
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Product Description
Catalog Number:
AG003H24
Chemical Name:
2-Chlorocyclohexanone
CAS Number:
822-87-7
Molecular Formula:
C6H9ClO
Molecular Weight:
132.5881
MDL Number:
MFCD00001626
IUPAC Name:
2-chlorocyclohexan-1-one
InChI:
InChI=1S/C6H9ClO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
InChI Key:
CCHNWURRBFGQCD-UHFFFAOYSA-N
SMILES:
ClC1CCCCC1=O
EC Number:
212-505-5
NSC Number:
12439
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.034g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.587g/mol
Monoisotopic Mass:
132.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Chemical profile and biological potential of non-polar fractions from Centroceras clavulatum (C. Agardh) Montagne (Ceramiales, Rhodophyta). Molecules (Basel, Switzerland) 20110819
2-(4-Methoxy-phenyl-sulfin-yl)cyclo-hexan-1-one. Acta crystallographica. Section E, Structure reports online 20090501
A new mechanism for the Favorskii rearrangement. Organic & biomolecular chemistry 20080907
Properties