Basic information
- CAS
3015-77-8- Standard SMILES
CCCCCCCP(=O)(OCC)Oc1ccc([N+](=O)[O-])cc1- InChIKey
HDCSKOHTFSPXEZ-UHFFFAOYSA-N- Molecular formula
- C15H24NO5P
- Average molar mass
- 329.33 g/mol
- Monoisotopic mass
- 329.13920986
Names & identifiers
- Preferred name
- Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) ester
- IUPAC
- 1-[ethoxy(heptyl)phosphoryl]oxy-4-nitrobenzene
- English name
- Heptylphosphonic acid ethyl p-nitrophenyl ester
- Molecular formula
- C15H24NO5P
- Molecular weight
- 329.33
Names & synonyms
3015-77-8Phosphonic acid, heptyl-, O-ethyl O-(p-nitrophenyl) esterRefChem:1095178p-Nitrophenyl ethyl heptylphosphonateethyl 4-nitrophenyl heptylphosphonateHeptylphosphonic acid ethyl p-nitrophenyl esterDTXSID50952560Phosphonic acid, heptyl-, ethyl p-nitrophenyl ester (7CI,8CI)
Database identifiers
- CAS
3015-77-8- PubChem CID
- 76392
- DTXSID
DTXSID50952560- Nikkaji
- J50.289H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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