2'- (Trifluoromethoxy) acetophenone

CAT: 0024-sc-260320Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-260320Size:1 g

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CAS Number

220227-93-0

Chemical Information

2'-(Trifluoromethoxy)acetophenone

CAS Number	220227-93-0
PubChem CID	2777176
IUPAC Name	1-[2-(trifluoromethoxy)phenyl]ethanone
Molecular Formula	C9H7F3O2
Molecular Weight	204.15
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	213

SMILES

CC(=O)C1=CC=CC=C1OC(F)(F)F

InChI

InChI=1S/C9H7F3O2/c1-6(13)7-4-2-3-5-8(7)14-9(10,11)12/h2-5H,1H3

InChIKey

XTXSTESGCXKUIH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 220227-93-0

CID: 2777176

Formula: C9H7F3O2

MW: 204.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.15
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	204.03981395
Monoisotopic Mass	204.03981395
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	213
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
sc-226326	3'- (Trifluoromethoxy) acetophenone
sc-233093	4'- (Trifluoromethoxy) acetophenone
sc-506585	2'-Chloro-4'- (trifluoromethoxy) acetophenone
sc-275531	2'-Methoxy-5'- (trifluoromethoxy) acetophenone
sc-225214	2-Bromo-4'- (trifluoromethoxy) acetophenone
sc-298685A	2'-Methoxy-4'- (trifluoromethoxy) acetophenone
sc-298685	2'-Methoxy-4'- (trifluoromethoxy) acetophenone
sc-260332	2'-Hydroxy-5'- (trifluoromethoxy) acetophenone
sc-299615A	4'-Fluoro-3'- (trifluoromethoxy) acetophenone
sc-299174A	3'-Chloro-5'- (trifluoromethoxy) acetophenone

Catalog	Name
PC7433E-01	4'- (Trifluoromethoxy) acetophenone
PC7433D-01	3'- (Trifluoromethoxy) acetophenone
PC4816-01	2'- (Trifluoromethoxy) acetophenone
PC49066-01	2'-Methoxy-4'- (trifluoromethoxy) acetophenone
PC302976-01	4'-Chloro-3'- (trifluoromethoxy) acetophenone
PC501196-01	3'-Fluoro-4'- (trifluoromethoxy) acetophenone
PC501355	4'- (Trifluoromethoxy) -3'- (trifluoromethyl) acetophenone
PC302302-01	3'-Fluoro-5'- (trifluoromethoxy) acetophenone
PC53279	2'-Chloro-4'- (trifluoromethoxy) acetophenone
PC500523-01	4'-Fluoro-3'- (trifluoromethoxy) acetophenone