5-Bromo-2,3-difluorophenol

CAT: 0024-sc-262493Size: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-262493Size:25 g

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CAS Number

186590-26-1

Chemical Information

5-Bromo-2,3-Difluorophenol

CAS Number	186590-26-1
PubChem CID	2773307
IUPAC Name	5-bromo-2,3-difluorophenol
Molecular Formula	C6H3BrF2O
Molecular Weight	208.99
XLogP	2.5
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	10
Formal Charge	0
Complexity	122

SMILES

C1=C(C=C(C(=C1O)F)F)Br

InChI

InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H

InChIKey

QAHCQGXGAYRHHW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186590-26-1

CID: 2773307

Formula: C6H3BrF2O

MW: 208.99

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.99
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	207.93353
Monoisotopic Mass	207.93353
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
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
IWC35767-01	3-Bromo-2,5-difluorophenol
435555-01	5-Bromo-2,3-difluorophenol
PC8835-01	2-Bromo-3,5-difluorophenol
PC8836-01	4-Bromo-3,5-difluorophenol
FPA42348	5-Bromo-2,4-difluorophenol
PC1393N	2-Bromo-4,5-difluorophenol
PC48654-01	3-Bromo-4,5-difluorophenol
PC7898-01	4-Bromo-2,5-difluorophenol
PC1025716	4-bromo-2-chloro-3,5-difluorophenol
PC1023600	2-bromo-3,4-difluorophenol