5’-Bromo-3’-fluoro-2’-hydroxyacetophenone

CAT: 0127-PC27938-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC27938-01Size:100 mg

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CAS Number

1089706-28-4

MDL Number

MFCD16742826

Purity

=95%

Smiles

CC(=O)c1cc(Br)cc(F)c1O

Chemical Information

1-(5-Bromo-3-fluoro-2-hydroxyphenyl)ethan-1-one

CAS Number	1089706-28-4
PubChem CID	57515846
IUPAC Name	1-(5-bromo-3-fluoro-2-hydroxyphenyl)ethanone
Molecular Formula	C8H6BrFO2
Molecular Weight	233.03
XLogP	2.6
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	186

SMILES

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

InChI

InChI=1S/C8H6BrFO2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

InChIKey

NBDDFAKYVVDWPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1089706-28-4

CID: 57515846

Formula: C8H6BrFO2

MW: 233.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	233.03
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	231.95352
Monoisotopic Mass	231.95352
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
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
PC27937-01	3’-Bromo-5’-fluoro-2’-hydroxyacetophenone
PC500197	4'-Bromo-3'-fluoro-2'-hydroxyacetophenone
OR1113	5'-Bromo-2'-hydroxyacetophenone
PC3756-01	5'-Fluoro-2'-hydroxyacetophenone
OR1112-01	3'-Bromo-5'-chloro-2'-hydroxyacetophenone
OR345592	5'-Bromo-3'-chloro-2'-hydroxyacetophenone
OR54360-01	3'-Bromo-2'-hydroxyacetophenone
PC49370-01	2'-Fluoro-3'-hydroxyacetophenone
PC49371-01	3'-Fluoro-2'-hydroxyacetophenone
PC501799-01	4’-Bromo-2’-fluoro-6’-hydroxyacetophenone

Catalog	Name
sc-225227	2-Bromo-5'-fluoro-2'-hydroxyacetophenone
277902-01	5'-Fluoro-2'-hydroxyacetophenone
276578-01	2-Fluoro-5-hydroxyacetophenone
FB34470-01	5'-Bromo-2'-hydroxyacetophenone
277898-01	3'-Fluoro-2'-Hydroxyacetophenone
sc-232169	3'-Bromo-5'-chloro-2'-hydroxyacetophenone
004796	2-Bromo-3'-hydroxyacetophenone
sc-230049	2-Bromo-5'-chloro-2'-hydroxyacetophenone
234428-01	5'-Fluoro-2'-hydroxyacetophenone 98+% (HPLC)
B2859-30	2-Bromo-2’-hydroxyacetophenone