3-(2-Chlorophenyl)cyclobutanone - CAS 1080636-35-6

Catalog:	BB002165
Product Name:	3-(2-Chlorophenyl)cyclobutanone
CAS:	1080636-35-6
Synonyms:	3-(2-chlorophenyl)-1-cyclobutanone; 3-(2-chlorophenyl)cyclobutan-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(2-chlorophenyl)cyclobutan-1-one
Description:	3-(2-Chlorophenyl)cyclobutanone (CAS# 1080636-35-6) is a useful research chemical.
Molecular Weight:	180.63
Molecular Formula:	C10H9ClO
Canonical SMILES:	C1C(CC1=O)C2=CC=CC=C2Cl
InChI:	InChI=1S/C10H9ClO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2
InChI Key:	PZRHYHKZMBRCKP-UHFFFAOYSA-N
MDL:	MFCD11848525
LogP:	2.78650

Publication Number	Title	Priority Date
EP-2481735-A1	Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials	20070509
US-2008280879-A1	Substituted heterocyclic derivatives and their pharmaceutical use and compositions	20070509
US-2011092480-A1	Substituted Heterocyclic Derivatives and Their Pharmaceutical Use and Compositions	20070509
US-2012065188-A1	Substituted heterocyclic derivatives and their pharmaceutical use and compositions	20070509
WO-2008139288-A2	Substituted heterocyclic derivatives and compositions and their pharmaceutical use as antibacterials	20070509

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0341926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.0341926
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1