Completing data — refresh the page later to see the latest
Basic information
- CAS
2411-01-0- Standard SMILES
CCCCCCC(C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)C(Cl)CC- InChIKey
FQHWVRPELKNIHV-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2O6
- Average molar mass
- 400.9 g/mol
- Monoisotopic mass
- 400.1401142
Names & identifiers
- Preferred name
- 2,4-Dinitro-6-(octan-2-yl)phenyl 2-chlorobutanoate
- IUPAC
- (2,4-dinitro-6-octan-2-ylphenyl) 2-chlorobutanoate
- English name
- 2-Chlorobutanoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl ester
- Molecular formula
- C18H25ClN2O6
- Molecular weight
- 400.85
Names & synonyms
2411-01-0DTXSID409469382,4-DINITRO-6-(OCTAN-2-YL)PHENYL 2-CHLOROBUTANOATERefChem:1059791DTXCID101375209ENT 27,327-XNSC 190927Thompson-hayward T-H 093-FT-H 093-FBUTYRIC ACID, 2-CHLORO-, 2-(1-METHYLHEPTYL)-4,6-DINITROPHENYL ESTER2-Chlorobutanoic acid 2-(1-methylheptyl)-4,6-dinitrophenyl esterButanoic acid, 2-chloro-, 2-(1-methylheptyl)-4,6-dinitrophenyl ester
Database identifiers
- CAS
2411-01-0- PubChem CID
- 17006
- DTXSID
DTXSID40946938- Nikkaji
- J42.779I
Properties
Computed structural propertiesFilling in
- XLogP
- 6.7
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 507
Physicochemical properties
- Boiling point
- 466.5 · 466.5±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…