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3,5-Diiodoaniline

CAT: 1266-JH268966Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH268966Size:1 Each
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CAS Number
35122-96-4
HS Code
2933990099
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C6H5I2N
Molecular Weight
344.92
Product Name Synonym
3,5-diiodo-aniline
Safety Statements
S24/25
Density
2.538±0.06 g/cm3 (Predicted)
Melting Point
105 °C

Chemical Information

3,5-Diiodoaniline
CAS Number35122-96-4
PubChem CID12134254
IUPAC Name3,5-diiodoaniline
Molecular FormulaC6H5I2N
Molecular Weight344.92
XLogP2.5
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=C(C=C(C=C1I)I)N
InChI
InChI=1S/C6H5I2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
InChIKey
CHLBMXJABUVAJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Diiodoaniline
CAS: 35122-96-4
CID: 12134254
Formula: C6H5I2N
MW: 344.92
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.92
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass344.85114
Monoisotopic Mass344.85114
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
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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