Basic information
- CAS
93260-31-2- Standard SMILES
CC(=C(Cl)Cl)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)ccc1C- InChIKey
RHUKXDLLYYYTFF-UHFFFAOYSA-N- Molecular formula
- C17H13Cl2NO4
- Average molar mass
- 366.2 g/mol
- Monoisotopic mass
- 365.0221633
Names & identifiers
- Preferred name
- 3-(1,1-Dichloroprop-1-en-2-yl)-4-methylphenyl 4-nitrobenzoate
- IUPAC
- [3-(1,1-dichloroprop-1-en-2-yl)-4-methylphenyl] 4-nitrobenzoate
Names & synonyms
93260-31-23-(1,1-dichloroprop-1-en-2-yl)-4-methylphenyl 4-nitrobenzoateNSC97661DTXSID90294698NSC-97661
Database identifiers
- CAS
93260-31-2- PubChem CID
- 263277
- DTXSID
DTXSID90294698
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 505
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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