Basic information
- CAS
6500-30-7- Standard SMILES
CCCCCCCCCCOC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
XRQVVCKJAIGRHJ-UHFFFAOYSA-N- Molecular formula
- C17H25NO4
- Average molar mass
- 307.4 g/mol
- Monoisotopic mass
- 307.17835828
Names & identifiers
- Preferred name
- Decyl 4-nitrobenzoate
- IUPAC
- decyl 4-nitrobenzoate
Names & synonyms
Decyl 4-nitrobenzoate6500-30-74-Nitrobenzoic acid, decyl esterDTXSID20335947RefChem:336770DTXCID00287036XRQVVCKJAIGRHJ-UHFFFAOYSA-NDecyl 4-nitrobenzoate #
Database identifiers
- CAS
6500-30-7- PubChem CID
- 528103
- DTXSID
DTXSID20335947- Nikkaji
- J3.385.758F
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 319
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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