2-Iodo-5-methoxybenzonitrile
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Basic information
- CAS
725715-08-2- Standard SMILES
COc1ccc(I)c(C#N)c1- InChIKey
XRPKJMRKCGAGQJ-UHFFFAOYSA-N- Molecular formula
- C8H6INO
- Average molar mass
- 259.04 g/mol
- Monoisotopic mass
- 258.94941
Names & identifiers
- Preferred name
- 2-Iodo-5-methoxybenzonitrile
- IUPAC
- 2-iodo-5-methoxybenzonitrile
- English name
- 2-Iodo-5-Methoxybenzonitrile
- Molecular formula
- C8H6INO
- Molecular weight
- 259.04
Names & synonyms
2-Iodo-5-methoxybenzonitrile725715-08-2MFCD189051012-Iodo-5-methoxy-benzonitrileSCHEMBL14849728DTXSID70743851SY495641H73286Benzonitrile, 2-iodo-5-methoxy-2-Iodo-5-methoxybenzonitrile CAS NO.725715-08-2
Database identifiers
- CAS
725715-08-2- PubChem CID
- 70701072
- DTXSID
DTXSID70743851
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Melting point
- 98 · 98-100 °C
- Boiling point
- 307.8 · 307.8±37.0 °C(Predicted)
- Density
- 1.82 · 1.82±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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