3-Butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Basic information
- CAS
372144-33-7- Standard SMILES
CCCCOc1ccc2c(c1)C(=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])N2- InChIKey
LVASCKDWIHPUMG-UHFFFAOYSA-N- Molecular formula
- C14H13Cl3N2O3
- Average molar mass
- 363.6 g/mol
- Monoisotopic mass
- 361.999175
Names & identifiers
- Preferred name
- 3-Butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
- IUPAC
- 3-butoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene
Names & synonyms
3-Butoxy-8-(2,3,3-trichloro-1-nitroprop-2-en-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-trieneChemDiv1_024835DTXSID901120062372144-33-73-Butoxy-8-(2,3,3-trichloro-1-nitro-2-propen-1-ylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene
Database identifiers
- CAS
372144-33-7- PubChem CID
- 3426554
- DTXSID
DTXSID901120062
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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