Basic information
- Standard SMILES
CCCCCCCc1ccc(N=C=O)cc1- InChIKey
WGOBQTBAFKICJG-UHFFFAOYSA-N- Molecular formula
- C14H19NO
- Average molar mass
- 217.31 g/mol
Names & identifiers
- Preferred name
- 1-Heptyl-4-isocyanatobenzene
- IUPAC
- 1-heptyl-4-isocyanatobenzene
Names & synonyms
1-heptyl-4-isocyanatobenzeneSCHEMBL2488182WGOBQTBAFKICJG-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 59409798
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Related reactions
1 records
Compound notes
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