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4-Bromo-5-chloro-2-fluorophenol

CAT: 0926-FXC51869-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-FXC51869-01Size:1 g
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CAS Number
1805518-69-7
MDL Number
MFCD28734039
Smiles
C1=C (C (=CC (=C1Cl) Br) F) O
Molecular Formula
C6H3BrClFO
Molecular Weight
225.44 g/mol
Controlled
No

Chemical Information

4-Bromo-5-chloro-2-fluorophenol
CAS Number1805518-69-7
PubChem CID121227585
IUPAC Name4-bromo-5-chloro-2-fluorophenol
Molecular FormulaC6H3BrClFO
Molecular Weight225.44
XLogP3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity124
SMILES
C1=C(C(=CC(=C1Cl)Br)F)O
InChI
InChI=1S/C6H3BrClFO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
IJPATGHIFLKJRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-5-chloro-2-fluorophenol
CAS: 1805518-69-7
CID: 121227585
Formula: C6H3BrClFO
MW: 225.44
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.44
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass223.90398
Monoisotopic Mass223.90398
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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