3-Bromo-6-fluorophenol

CAT: 0024-sc-260815Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-260815Size:1 g

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CAS Number

112204-58-7

Chemical Information

Phenol, 5-bromo-2-fluoro-

CAS Number	112204-58-7
PubChem CID	183421
IUPAC Name	5-bromo-2-fluorophenol
Molecular Formula	C6H4BrFO
Molecular Weight	191.00
XLogP	2.4
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

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

InChI

InChI=1S/C6H4BrFO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

YPTHSYKJDRMAJY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 112204-58-7

CID: 183421

Formula: C6H4BrFO

MW: 191.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	191.00
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	189.94296
Monoisotopic Mass	189.94296
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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
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SEC70723-01	3-Bromo-2-ethoxy-6-fluorophenol
abx185935-01	3-Bromo-6-Chloro-2-Fluorophenol
PC1013292	2-Bromo-3-ethyl-6-fluorophenol
HXC23485-01	6-Amino-3-bromo-2-fluorophenol
423074-01	3- (Benzyloxy) -6-bromo-2-fluorophenol
PC501841-01	3-Bromo-2-chloro-6-fluorophenol
PC1012657	6-Bromo-3-ethoxy-2-fluorophenol
PC49005-01	6-Amino-2-bromo-3-fluorophenol
PC501749	2-Amino-3-bromo-6-fluorophenol