Basic information
- CAS
1260761-22-5- Standard SMILES
N#CCCCc1ccc(Cl)cc1Cl- InChIKey
RNVYCRVSHYCBDP-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2N
- Average molar mass
- 214.09 g/mol
- Monoisotopic mass
- 213.0112047
Names & identifiers
- Preferred name
- 4-(2,4-Dichlorophenyl)butanenitrile
- IUPAC
- 4-(2,4-dichlorophenyl)butanenitrile
- English name
- 4-(2,4-dichlorophenyl)butanenitrile
- Molecular formula
- C10H9Cl2N
- Molecular weight
- 214.09
Names & synonyms
1260761-22-54-(2,4-DICHLOROPHENYL)BUTANENITRILEBenzenebutanenitrile, 2,4-dichloro-DTXSID301295015
Database identifiers
- CAS
1260761-22-5- PubChem CID
- 53404100
- DTXSID
DTXSID301295015
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 335 · 335.0±32.0 °C(Predicted)
- Density
- 1.24 · 1.240±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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