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(3,5-dibromophenyl) (3-fluorophenyl) methanol

CAT: 0127-PC1015059-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1015059-01Size:250 mg
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CAS Number
214406-51-6
Purity
95%
Smiles
C1 (cccc (c1) C (c1cc (cc (c1) Br) Br) O) F

Chemical Information

(3,5-Dibromophenyl)(3-fluorophenyl)methanol
CAS Number214406-51-6
PubChem CID107978141
IUPAC Name(3,5-dibromophenyl)-(3-fluorophenyl)methanol
Molecular FormulaC13H9Br2FO
Molecular Weight360.02
XLogP4.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity242
SMILES
C1=CC(=CC(=C1)F)C(C2=CC(=CC(=C2)Br)Br)O
InChI
InChI=1S/C13H9Br2FO/c14-10-4-9(5-11(15)7-10)13(17)8-2-1-3-12(16)6-8/h1-7,13,17H
InChIKey
SGNBOXYZWOAMEX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (3,5-Dibromophenyl)(3-fluorophenyl)methanol
CAS: 214406-51-6
CID: 107978141
Formula: C13H9Br2FO
MW: 360.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.02
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass359.89837
Monoisotopic Mass357.90042
Topological Polar Surface Area20.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity242
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

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