2- (2,4-Dichlorophenyl) cyclobutan-1-one

CAT: 0127-OR1061519-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1061519-01Size:100 mg

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CAS Number

1261038-31-6

Purity

98%

Smiles

O=C1C(C2=CC=C(Cl)C=C2Cl)CC1

Chemical Information

2-(2,4-Dichlorophenyl)cyclobutanone

CAS Number	1261038-31-6
PubChem CID	117679348
IUPAC Name	2-(2,4-dichlorophenyl)cyclobutan-1-one
Molecular Formula	C10H8Cl2O
Molecular Weight	215.07
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	217

SMILES

C1CC(=O)C1C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C10H8Cl2O/c11-6-1-2-7(9(12)5-6)8-3-4-10(8)13/h1-2,5,8H,3-4H2

InChIKey

ZKERQVAHTQJYLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1261038-31-6

CID: 117679348

Formula: C10H8Cl2O

MW: 215.07

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	215.07
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	213.9952203
Monoisotopic Mass	213.9952203
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	217
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC109893	2- (4-Fluorophenyl) cyclobutan-1-one
OR1084479-01	1- (2,4-dichlorophenyl) cyclobutanol
OR922566-01	2- (Hydroxymethyl) cyclobutan-1-one
OR948453-01	2- (Benzyloxy) cyclobutan-1-one
OR1070349-01	2- (2-Chloroethyl) cyclobutan-1-one
OR33235-01	1- (2,4-Dichlorophenyl) -2-methanesulfonylethan-1-one
OR1008895-01	1- (2,4-Dichlorophenyl) Propan-1-One
OR1062111-01	(1- (2,4-Dichlorophenyl) cyclobutyl) methanamine
OR78184-01	3- (2-Methoxyphenyl) cyclobutan-1-one
OR1049522-01	4- (2,4-Dichlorophenyl) azetidin-2-one

Catalog	Name
VCA10627-01	2- (4-Methoxyphenyl) cyclobutan-1-one
DXC59802-01	1- (2,6-Dichlorophenyl) cyclobutan-1-amine hydrochloride
GIA75175-01	2- (Benzyloxy) cyclobutan-1-one
KCD96774-01	2- (2-Chloroethyl) cyclobutan-1-one
ZZA73342-01	2- (2-Methylpropyl) cyclobutan-1-one
IMC10087-01	3- (4-Bromo-2-fluorophenyl) cyclobutan-1-one
TFA58942-01	3- (4-Fluorophenyl) cyclobutan-1-one
CCA49802-01	3- (4-Methoxyphenyl) cyclobutan-1-one
CXB22887-01	1- (2,4-Dichlorophenyl) -4-methylpentan-2-one
WAC91139-01	2,2-Dimethyl-3- (4-nitrophenyl) cyclobutan-1-one