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4-Iododiphenylmethane

CAT: 0024-sc-284262Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-284262Size:1 g
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CAS Number
35444-94-1

Chemical Information

1-Benzyl-4-iodobenzene
CAS Number35444-94-1
PubChem CID2759364
IUPAC Name1-benzyl-4-iodobenzene
Molecular FormulaC13H11I
Molecular Weight294.13
XLogP4.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity153
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)I
InChI
InChI=1S/C13H11I/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKey
FCUNNMLRHRWXAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Benzyl-4-iodobenzene
CAS: 35444-94-1
CID: 2759364
Formula: C13H11I
MW: 294.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.13
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass293.99055
Monoisotopic Mass293.99055
Topological Polar Surface Area0 Ų
Heavy Atom Count14
Formal Charge0
Complexity153
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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