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(4-Fluoro-3-iodophenyl) methanol

CAT: 0926-CJA60987-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-CJA60987-01Size:0.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
227609-87-2
MDL Number
MFCD18396949
Smiles
C1=CC (=C (C=C1CO) I) F
Molecular Formula
C7H6FIO
Molecular Weight
252.02 g/mol
Controlled
No

Chemical Information

(4-Fluoro-3-iodophenyl)methanol
CAS Number227609-87-2
PubChem CID23497488
IUPAC Name(4-fluoro-3-iodophenyl)methanol
Molecular FormulaC7H6FIO
Molecular Weight252.02
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
C1=CC(=C(C=C1CO)I)F
InChI
InChI=1S/C7H6FIO/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
KUENOVPEGWQHMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Fluoro-3-iodophenyl)methanol
CAS: 227609-87-2
CID: 23497488
Formula: C7H6FIO
MW: 252.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.02
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass251.94474
Monoisotopic Mass251.94474
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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