2,3,6-Trifluorobenzophenone

CAT: 0127-PC4587Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-PC4587Size:1 Each

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CAS Number

239135-56-9

MDL Number

MFCD00236312

Purity

97%

Smiles

Fc1ccc(F)c(C(=O)c2ccccc2)c1F

Chemical Information

2,3,6-Trifluorobenzophenone

CAS Number	239135-56-9
PubChem CID	2777008
IUPAC Name	phenyl-(2,3,6-trifluorophenyl)methanone
Molecular Formula	C13H7F3O
Molecular Weight	236.19
XLogP	3.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	17
Formal Charge	0
Complexity	276

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2F)F)F

InChI

InChI=1S/C13H7F3O/c14-9-6-7-10(15)12(16)11(9)13(17)8-4-2-1-3-5-8/h1-7H

InChIKey

RVLZDVAUDYYOAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 239135-56-9

CID: 2777008

Formula: C13H7F3O

MW: 236.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	236.19
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	236.04489933
Monoisotopic Mass	236.04489933
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276
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
PC7284H	2,4,6-Trifluorobenzophenone
PC7284E	2,3,4-Trifluorobenzophenone
PC2097	2,3,5-Trifluorobenzophenone
PC7284I-01	3,4,5-Trifluorobenzophenone
BICL2358-01	Methyl 2,2',2'',3,3',3''-hexa-O-acetyl-6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
OR1096509	6-butyl-2- (2,3-dichlorophenyl) -1,3,6,2-dioxazaborocane
OR21612	N1-[6- (2,6-dichlorophenoxy) -3-pyridyl]-2,3,3-trichloroacrylamide
OR1008355-01	(E) -6,6’-Dibromo-[3,3’-BIIndolinylidene]-2,2’-Dione
OR1078441-01	2,3,6,7-Naphthalenetetracarboxylic 2,3:6,7-Dianhydride
OR1060274-01	(E) -6,6'-Dibromo-[2,2'-biindolinylidene]-3,3'-dione

Catalog	Name
sc-261164A	3,4,5-Trifluorobenzophenone
sc-322445	3-Chloro-3',4',5-trifluorobenzophenone
sc-323199	4-Methoxy-3,3',5'-trifluorobenzophenone
sc-322446	3-Chloro-3',4',5'-trifluorobenzophenone
sc-322447	3-Chloro-3',5,5'-trifluorobenzophenone
sc-323198	4-Methoxy-3,3',4'-trifluorobenzophenone
sc-323064	4-Chloro-3',4',5'-trifluorobenzophenone
GC9261-5mg	Methyl 2,2'',2'''',3,3'',3''''-hexa-O-acetyl-6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
FO01921-01	2,2',3,3',5,5',6,6'-Octafluorobiphenyl
420004-01	2,3,5,6,2',3',5',6'-Octachlorobiphenyl