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(2-fluoro-5-iodophenyl) (phenyl) methanol

CAT: 0127-PC1019093-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1019093-01Size:250 mg
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CAS Number
2918846-24-7
MDL Number
MFCD34783972
Purity
97%
Smiles
C1 (ccc (c (c1) C (O) c1ccccc1) F) I

Chemical Information

(2-Fluoro-5-iodophenyl)(phenyl)methanol
CAS Number2918846-24-7
PubChem CID171366430
IUPAC Name(2-fluoro-5-iodophenyl)-phenylmethanol
Molecular FormulaC13H10FIO
Molecular Weight328.12
XLogP3.5
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity218
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC(=C2)I)F)O
InChI
InChI=1S/C13H10FIO/c14-12-7-6-10(15)8-11(12)13(16)9-4-2-1-3-5-9/h1-8,13,16H
InChIKey
IPDOCCCEQOVLHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-Fluoro-5-iodophenyl)(phenyl)methanol
CAS: 2918846-24-7
CID: 171366430
Formula: C13H10FIO
MW: 328.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight328.12
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass327.97604
Monoisotopic Mass327.97604
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity218
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