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Home >> Chemical Listing >> Page 2932 >> 6-(3-Iodophenyl)-6-oxohexanenitrile

6-(3-Iodophenyl)-6-oxohexanenitrile
[CAS# 898767-95-8]

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Identification
Name 6-(3-Iodophenyl)-6-oxohexanenitrile
Synonyms 6-(3-iodophenyl)-6-oxohexanenitrile
Molecular Structure CAS#: 898767-95-8, 6-(3-Iodophenyl)-6-oxohexanenitrile
Molecular Formula C12H12INO
Molecular Weight 313.13
CAS Registry Number 898767-95-8
SMILES O=C(CCCCC#N)c1cc(I)ccc1
InChI 1S/C12H12INO/c13-11-6-4-5-10(9-11)12(15)7-2-1-3-8-14/h4-6,9H,1-3,7H2
InChIKey DECOPSDWOKBWGC-UHFFFAOYSA-N
Properties
Density 1.547g/cm3 (Cal.)
Boiling point 438.161°C at 760 mmHg (Cal.)
Flash point 218.792°C (Cal.)
Refractive index 1.582 (Cal.)
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