5’-Bromo-2’-hydroxy-2,2,2-trifluoroacetophenone

CAT: 0127-PC57074-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC57074-01Size:250 mg

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CAS Number

1190130-82-5

MDL Number

MFCD27665753

Purity

99%

Smiles

Oc1ccc(Br)cc1C(=O)C(F)(F)F

Chemical Information

1-(5-Bromo-2-hydroxyphenyl)-2,2,2-trifluoroethan-1-one

CAS Number	1190130-82-5
PubChem CID	83950852
IUPAC Name	1-(5-bromo-2-hydroxyphenyl)-2,2,2-trifluoroethanone
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.01
XLogP	3.6
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	229

SMILES

C1=CC(=C(C=C1Br)C(=O)C(F)(F)F)O

InChI

InChI=1S/C8H4BrF3O2/c9-4-1-2-6(13)5(3-4)7(14)8(10,11)12/h1-3,13H

InChIKey

DDGPMWKNKPLJCW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1190130-82-5

CID: 83950852

Formula: C8H4BrF3O2

MW: 269.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.01
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	267.93468
Monoisotopic Mass	267.93468
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	229
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
PC57073-01	4’-Bromo-2’-hydroxy-2,2,2-trifluoroacetophenone
PC49151	2'-Amino-5'-hydroxy-2,2,2-trifluoroacetophenone
PC57072-01	5’-Chloro-2’-hydroxy-2,2,2-trifluoroacetophenone
PC502078	5'-Bromo-2'-chloro-2,2,2-trifluoroacetophenone
PC502079	2'-Bromo-5'-chloro-2,2,2-trifluoroacetophenone
PC53629-01	5'-Bromo-2'- (trifluoromethoxy) -2,2,2-trifluoroacetophenone
PC49164-01	2'-Amino-5'-bromo-2,2,2-trifluoroacetophenone
PC99011-01	2’-Bromo-5’- (trifluoromethoxy) -2,2,2-trifluoroacetophenone
PC57070-01	2’-Hydroxy-2,2,2-trifluoroacetophenone
PC49176-01	2'-Bromo-2,2,2-trifluoroacetophenone

Catalog	Name
sc-506539	2'-Amino-5'-bromo-2,2,2-trifluoroacetophenone
sc-232167	3'-Bromo-2,2,2-trifluoroacetophenone
433901-01	4’-Bromo-2,2,2-trifluoroacetophenone
sc-252229	4'-Bromo-2,2,2-trifluoroacetophenone
sc-322111	2'-Bromo-6'-chloro-2,2,2-trifluoroacetophenone
sc-238236A	2,2,2-Trifluoroacetophenone
sc-335893	3'-Bromo-4'-methoxy-2,2,2-trifluoroacetophenone
sc-335920	3',5'-Dimethyl-2,2,2-trifluoroacetophenone
sc-335918	3',5'-Dichloro-2,2,2-trifluoroacetophenone
sc-322788	3,5-Diethyl-2,2,2-trifluoroacetophenone