2'-Hydroxy-5'- (trifluoromethoxy) acetophenone

CAT: 0024-sc-260332Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-260332Size:1 g

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CAS Number

146575-64-6

Chemical Information

2'-Hydroxy-5'-(trifluoromethoxy)acetophenone

CAS Number	146575-64-6
PubChem CID	2775102
IUPAC Name	1-[2-hydroxy-5-(trifluoromethoxy)phenyl]ethanone
Molecular Formula	C9H7F3O3
Molecular Weight	220.14
XLogP	3.2
Topological Polar Surface Area	46.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	239

SMILES

CC(=O)C1=C(C=CC(=C1)OC(F)(F)F)O

InChI

InChI=1S/C9H7F3O3/c1-5(13)7-4-6(2-3-8(7)14)15-9(10,11)12/h2-4,14H,1H3

InChIKey

FYWYHQOZXGAPSF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 146575-64-6

CID: 2775102

Formula: C9H7F3O3

MW: 220.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	220.14
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	220.03472857
Monoisotopic Mass	220.03472857
Topological Polar Surface Area	46.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	239
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-275531	2'-Methoxy-5'- (trifluoromethoxy) acetophenone
sc-260320	2'- (Trifluoromethoxy) acetophenone
sc-260320A	2'- (Trifluoromethoxy) acetophenone
sc-299174A	3'-Chloro-5'- (trifluoromethoxy) acetophenone
sc-299174	3'-Chloro-5'- (trifluoromethoxy) acetophenone
sc-226326	3'- (Trifluoromethoxy) acetophenone
sc-233093	4'- (Trifluoromethoxy) acetophenone
sc-506585	2'-Chloro-4'- (trifluoromethoxy) acetophenone
sc-298685A	2'-Methoxy-4'- (trifluoromethoxy) acetophenone
sc-225214	2-Bromo-4'- (trifluoromethoxy) acetophenone

Catalog	Name
PC0592-01	2'-Hydroxy-5'- (trifluoromethoxy) acetophenone
PC302179-01	2'-Methyl-5'- (trifluoromethoxy) acetophenone
PC302814-01	2'-Methoxy-5'- (trifluoromethoxy) acetophenone
PC49788-01	2’-Bromo-5’- (trifluoromethoxy) acetophenone
PC48841-01	5'-Bromo-2'- (trifluoromethoxy) acetophenone
PC4816-01	2'- (Trifluoromethoxy) acetophenone
PC302302-01	3'-Fluoro-5'- (trifluoromethoxy) acetophenone
PC50034-01	3'-Chloro-5'- (trifluoromethoxy) acetophenone
PC302732	3'-Methyl-5'- (trifluoromethoxy) acetophenone
PC49066-01	2'-Methoxy-4'- (trifluoromethoxy) acetophenone