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4-Fluoro-2-iodobenzamide

CAT: 0127-PC408248Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC408248Size:1 Each
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CAS Number
748188-85-4
MDL Number
MFCD16250217
Purity
=95%
Smiles
NC(=O)c1ccc(F)cc1I

Chemical Information

4-Fluoro-2-iodobenzamide
CAS Number748188-85-4
PubChem CID47331805
IUPAC Name4-fluoro-2-iodobenzamide
Molecular FormulaC7H5FINO
Molecular Weight265.02
XLogP1.5
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=CC(=C(C=C1F)I)C(=O)N
InChI
InChI=1S/C7H5FINO/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
InChIKey
XKWYYLBXYHRKBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-2-iodobenzamide
CAS: 748188-85-4
CID: 47331805
Formula: C7H5FINO
MW: 265.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.02
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass264.93999
Monoisotopic Mass264.93999
Topological Polar Surface Area43.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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