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2- (5-bromo-2-fluorophenyl) ethanol

CAT: 0127-PC1023526-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1023526-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1341402-27-4
Purity
95%
Smiles
C (CO) c1c (F) ccc (Br) c1

Chemical Information

2-(5-Bromo-2-fluorophenyl)ethan-1-OL
CAS Number1341402-27-4
PubChem CID63968403
IUPAC Name2-(5-bromo-2-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=C1Br)CCO)F
InChI
InChI=1S/C8H8BrFO/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5,11H,3-4H2
InChIKey
CWONQYXCGBTASW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Bromo-2-fluorophenyl)ethan-1-OL
CAS: 1341402-27-4
CID: 63968403
Formula: C8H8BrFO
MW: 219.05
Interactive 3D Structure
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View on PubChemRaw 3D data
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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