Basic information
- CAS
93999-89-4- Standard SMILES
CCCCCCCCCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
NQKPOXVRXBGLGC-UHFFFAOYSA-N- Molecular formula
- C18H28N2O4
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.20490738
Names & identifiers
- Preferred name
- Carbamic acid, (4-nitrophenyl)-, undecyl ester
- IUPAC
- undecyl N-(4-nitrophenyl)carbamate
Names & synonyms
Undecyl (4-nitrophenyl)carbamate93999-89-4Carbamic acid, (4-nitrophenyl)-, undecyl esterp-Nitro carbanilic acid, n-undecyl esterDTXSID50335152
Database identifiers
- CAS
93999-89-4- PubChem CID
- 523095
- DTXSID
DTXSID50335152
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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