CAS 822-87-7 | 2-Chlorocyclohexanone | CAS Number 822-87-7

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822-87-7 | 2-Chlorocyclohexanone

CAS No: 822-87-7 Catalog No: AG003H24 MDL No:MFCD00001626

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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

132.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

132.587g/mol

Monoisotopic Mass:

132.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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