2-(2-Chlorophenyl)cyclohexanol - CAS 91767-29-2

Catalog:	BB040340
Product Name:	2-(2-Chlorophenyl)cyclohexanol
CAS:	91767-29-2
Synonyms:	2-(2-chlorophenyl)-1-cyclohexanol; 2-(2-chlorophenyl)cyclohexan-1-ol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2-chlorophenyl)cyclohexan-1-ol
Description:	2-(2-Chlorophenyl)cyclohexanol (CAS# 91767-29-2) is synthesized from 1-Bromo-2-chlorobenzene (B682310). 1-Bromo-2-chlorobenzene is a reagent in the preparation of arylpiperidines and aryltetrahydropyridines as 5-HT2C agonists.
Molecular Weight:	210.70
Molecular Formula:	C12H15ClO
Canonical SMILES:	C1CCC(C(C1)C2=CC=CC=C2Cl)O
InChI:	InChI=1S/C12H15ClO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,10,12,14H,2,4,6,8H2
InChI Key:	YXADWCNDSYNYQT-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-1280811-A1	Hydroformylation method, bridged compounds of phosphorus, arsenic and antimony and catalyst comprising a complex of said bridged compounds	20000512
EP-1280811-B1	Hydroformylation method, bridged compounds of phosphorus, arsenic and antimony and catalyst comprising a complex of said bridged compounds	20000512
WO-0185739-A1	Hydroformylation method, bridged compounds of phosphorus, arsenic and antimony and catalyst comprising a complex of said bridged compounds	20000512

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.0811428
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	210.0811428
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4