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2- (4-Bromo-3-fluorophenyl) ethanol

CAT: 0127-PC1001698-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1001698-01Size:100 mg
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CAS Number
1331944-00-3
MDL Number
MFCD24108150
Purity
98%
Smiles
OCCC1=CC=C(Br)C(F)=C1

Chemical Information

2-(4-Bromo-3-fluorophenyl)ethan-1-ol
CAS Number1331944-00-3
PubChem CID20081205
IUPAC Name2-(4-bromo-3-fluorophenyl)ethanol
Molecular FormulaC8H8BrFO
Molecular Weight219.05
XLogP2.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
C1=CC(=C(C=C1CCO)F)Br
InChI
InChI=1S/C8H8BrFO/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5,11H,3-4H2
InChIKey
VPBFEQYMFNWDLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Bromo-3-fluorophenyl)ethan-1-ol
CAS: 1331944-00-3
CID: 20081205
Formula: C8H8BrFO
MW: 219.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight219.05
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass217.97426
Monoisotopic Mass217.97426
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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