4-(2-Chlorophenyl)cyclohexanone - CAS 180005-03-2

Catalog:	BB013636
Product Name:	4-(2-Chlorophenyl)cyclohexanone
CAS:	180005-03-2
Synonyms:	4-(2-chlorophenyl)-1-cyclohexanone; 4-(2-chlorophenyl)cyclohexan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(2-chlorophenyl)cyclohexan-1-one
Description:	4-(2-Chlorophenyl)cyclohexanone (CAS# 180005-03-2) is used in the synthetic preparation of cyclohexyl pyridylpiperazines as Δ8-Δ7 sterol isomerase ligands with antiproliferative activity.
Molecular Weight:	208.68
Molecular Formula:	C12H13ClO
Canonical SMILES:	C1CC(=O)CCC1C2=CC=CC=C2Cl
InChI:	InChI=1S/C12H13ClO/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-4,9H,5-8H2
InChI Key:	GDYQZEPMJGRCRI-UHFFFAOYSA-N
LogP:	3.56670

Publication Number	Title	Priority Date
EP-3515914-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a]PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924
TW-201825487-A	Novel 5 or 8-substituted imidazo[1,5-a]pyridine as a selective inhibitor of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase	20160924
US-2020024273-A1	NOVEL 5 OR 8-SUBSTITUTED IMIDAZO [1,5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2,3-DIOXYGENASES	20160924
WO-2018054365-A1	NOVEL 5 or 8-SUBSTITUTED IMIDAZO [1, 5-a] PYRIDINES AS SELECTIVE INHIBITORS OF INDOLEAMINE AND/OR TRYPTOPHANE 2, 3-DIOXYGENASES	20160924
US-10882856-B2	5 or 8-substituted imidazo [1,5-a] pyridines as selective inhibitors of indoleamine and/or tryptophane 2,3-dioxygenases	20160924

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Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.0654927
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.0654927
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8