Basic information
- CAS
6313-97-9- Standard SMILES
CCCCCCCCCCCCCCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
OFTKGWZUBGTPJA-UHFFFAOYSA-N- Molecular formula
- C23H39N3O3
- Average molar mass
- 405.6 g/mol
- Monoisotopic mass
- 405.29914211
Names & identifiers
- Preferred name
- 1-Hexadecyl-3-(4-nitrophenyl)urea
- IUPAC
- 1-hexadecyl-3-(4-nitrophenyl)urea
- English name
- 1-hexadecyl-3-(4-nitrophenyl)urea
- Molecular formula
- C23H39N3O3
- Molecular weight
- 405.57
Names & synonyms
6313-97-91-hexadecyl-3-(4-nitrophenyl)ureaNSC40598DTXSID50285128N-Hexadecyl-N'-(4-nitrophenyl)ureaNSC-40598Urea, N-hexadecyl-N'-(4-nitrophenyl)-
Database identifiers
- CAS
6313-97-9- PubChem CID
- 237262
- DTXSID
DTXSID50285128
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 418
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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