4-Hydroxy-3- (trifluoromethyl) acetophenone

CAT: 0926-FH67091-01Size: 1000 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FH67091-01Size:1000 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

149105-11-3

Synonyms

1-[4-Hydroxy-3- (trifluoromethyl) phenyl]ethanone

MDL Number

MFCD01091005

Smiles

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

Molecular Formula

C9H7F3O2

Molecular Weight

204.15 g/mol

Controlled

Chemical Information

4'-Hydroxy-3'-(trifluoromethyl)acetophenone

CAS Number	149105-11-3
PubChem CID	2775109
IUPAC Name	1-[4-hydroxy-3-(trifluoromethyl)phenyl]ethanone
Molecular Formula	C9H7F3O2
Molecular Weight	204.15
XLogP	2.1
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	14
Formal Charge	0
Complexity	225

SMILES

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

InChI

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

InChIKey

HKRUXZJKSFFSGF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 149105-11-3

CID: 2775109

Formula: C9H7F3O2

MW: 204.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	204.15
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	204.03981395
Monoisotopic Mass	204.03981395
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	225
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
FT28471-01	4'- (Trifluoromethyl) acetophenone
VEA07770-01	4'-Bromo-3'- (trifluoromethyl) acetophenone
BJB26298	4'-Methyl-3'- (trifluoromethyl) acetophenone
FD67382-01	3,5-Difluoro-4- (trifluoromethyl) acetophenone
XXB23194	4'-Bromo-2'- (trifluoromethyl) acetophenone
BBA93205-01	4-Hydroxy-3- (3-methyl-2-butenyl) acetophenone
FT64543-01	2'- (Trifluoromethyl) acetophenone
FH70052-01	4-Hydroxy-3- (trifluoromethyl) benzonitrile
GEB00250	3-Hydroxy-4- (trifluoromethyl) benzonitrile
TZB28207-01	3-Hydroxy-4- (trifluoromethyl) benzaldehyde

Catalog	Name
sc-356928A	4'-Hydroxy-3'- (trifluoromethyl) acetophenone
PC3457-01	4'-Hydroxy-2'- (trifluoromethyl) acetophenone
PC500344	3'-Bromo-4'-hydroxy-5'- (trifluoromethyl) acetophenone
abx183479-01	4-(Trifluoromethyl)acetophenone
290354-01	4'- (Trifluoromethyl) acetophenone
PC500310	2'-Fluoro-6'-hydroxy-4'- (trifluoromethyl) acetophenone
PC500209	4'-Fluoro-2'-hydroxy-5'- (trifluoromethyl) acetophenone
PC53403	5'-bromo-4'-hydroxy-2'- (trifluoromethyl) acetophenone
sc-261207A	3'-Fluoro-4'- (trifluoromethyl) acetophenone
PC9188-01	4'-Methyl-3'- (trifluoromethyl) acetophenone