4-Chloro-2,5-dimethoxybenzonitrile
Basic information
- CAS
58543-89-8- Standard SMILES
COc1cc(C#N)c(OC)cc1Cl- InChIKey
ZUWPOBVDQKRCAB-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO2
- Average molar mass
- 197.62 g/mol
- Monoisotopic mass
- 197.0243562
Names & identifiers
- Preferred name
- 4-Chloro-2,5-dimethoxybenzonitrile
- IUPAC
- 4-chloro-2,5-dimethoxybenzonitrile
- English name
- 4-CHLORO-2,5-DIMETHOXYBENZONITRILE
- Molecular formula
- C9H8ClNO2
- Molecular weight
- 197.62
Names & synonyms
4-chloro-2,5-dimethoxybenzonitrile58543-89-8DTXSID00352652RefChem:291375DTXCID70303717HMS551E01Maybridge1_003433orb3031128Fr128634-chloro-2,5-dimethoxy-benzonitrileCCG-42464MFCD00045602
Show more names
Benzonitrile, 4-chloro-2,5-dimethoxy-
SBB092211AKOS0062735044-chloro-2,5-dimethoxybenzenecarbonitrileDS-13172CS-0319795O11203SR-01000632461-1
Database identifiers
- CAS
58543-89-8- PubChem CID
- 730990
- DTXSID
DTXSID00352652
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Melting point
- 150 · 150-151 °C
- Boiling point
- 312.4 · 312.4±42.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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