2-Bromo-3,6-difluorophenol

CAT: 0127-PC50109-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC50109-01Size:1 g

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CAS Number

1208077-18-2

MDL Number

MFCD13176518

Purity

95%

Smiles

Oc1c(F)ccc(F)c1Br

Chemical Information

2-Bromo-3,6-difluorophenol

CAS Number	1208077-18-2
PubChem CID	50998132
IUPAC Name	2-bromo-3,6-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=CC(=C(C(=C1F)O)Br)F

InChI

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

InChIKey

DQVYERDCGYVMRV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1208077-18-2

CID: 50998132

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
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