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1- (4-Bromo-2-fluorophenyl) ethanol

CAT: 0127-PC1026080Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC1026080Size:1 g
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CAS Number
353282-88-9
MDL Number
MFCD19601833
Purity
95%
Smiles
C1 (c (ccc (c1) Br) C (C) O) F

Chemical Information

1-(4-Bromo-2-fluorophenyl)ethanol
CAS Number353282-88-9
PubChem CID59694434
IUPAC Name1-(4-bromo-2-fluorophenyl)ethanol
Molecular FormulaC8H8BrFO
Molecular Weight219.05
XLogP2.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity131
SMILES
CC(C1=C(C=C(C=C1)Br)F)O
InChI
InChI=1S/C8H8BrFO/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3
InChIKey
MASZUNQDCHMJEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Bromo-2-fluorophenyl)ethanol
CAS: 353282-88-9
CID: 59694434
Formula: C8H8BrFO
MW: 219.05
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight219.05
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass217.97426
Monoisotopic Mass217.97426
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes