Phenyl (2,4,6-trichlorophenyl) methanone

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CAS Number

25187-07-9

MDL Number

MFCD00156817

Smiles

C (=O) (c1c (Cl) cc (Cl) cc1Cl) c1ccccc1

Chemical Information

Phenyl(2,4,6-trichlorophenyl)methanone

See also: 2,4,6-Trichlorobenzophenone (annotation moved to).

CAS Number	25187-07-9
PubChem CID	5218782
IUPAC Name	phenyl-(2,4,6-trichlorophenyl)methanone
Molecular Formula	C13H7Cl3O
Molecular Weight	285.5
XLogP	5.1
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	264

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C13H7Cl3O/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7H

InChIKey

QAHGFRPSVORUTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 25187-07-9

CID: 5218782

Formula: C13H7Cl3O

MW: 285.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.5
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	283.956248
Monoisotopic Mass	283.956248
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	264
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1089618-01	Morpholino (2,4,6-trichlorophenyl) methanone
OR1089830-01	Thiomorpholino (2,4,6-trichlorophenyl) methanone
OR1089605-01	Piperidin-1-yl (2,4,6-trichlorophenyl) methanone
OR1089813-01	(4-Methylpiperazin-1-yl) (2,4,6-trichlorophenyl) methanone
OR1082953-01	Cyclopropyl (2,3,4-trichlorophenyl) methanone
OR1079736-01	Tris (2,4,6-trichlorophenyl) methane
PC31219	2,4-dichloro-6-[2- (2,4,6-trichlorophenyl) ethanhydrazonoyl]phenyl 2-fluorobenzoate
OR75106-01	2,4,6-Trichlorophenyl formate
OR0758-01	2,4,6-Trichlorophenyl isocyanate
PC1009193-01	(2,6-difluoro-4-methoxyphenyl) (phenyl) methanone

Catalog	Name
RG-A130981-01	(4- (2-Aminoethyl) Phenyl) (Phenyl) Methanone
sc-266021	(2,3,4,5,6-pentamethylphenyl) (phenyl) methanone
1809875-69-1-01	Bis[4-[ (2,6-dimethylphenyl) amino]phenyl]methanone
DAA55584-01	(2,4-Dimethoxyphenyl) (phenyl) methanone
sc-348383	[4- (oxiran-2-ylmethoxy) phenyl] (phenyl) methanone
AR-C03201-01	(4- (2- (diethylamino) ethoxy) phenyl) (phenyl) methanone
416210-01	(2-Bromo-6-methoxyphenyl) phenyl-methanone
FA133569-01	[4- (2-Aminoethoxy) phenyl] (phenyl) methanone HCl
FH KO 023B-01	Phenyl-[4-[ (E) -2-phenylethenyl]phenyl]methanone
B694640	(2-Bromo-6-methoxyphenyl)phenyl-methanone