Basic information
- CAS
93320-52-6- Standard SMILES
Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(C)C(Cl)(Cl)Cl- InChIKey
NGYHHYJERHVKFN-UHFFFAOYSA-N- Molecular formula
- C17H14Cl3NO4
- Average molar mass
- 402.7 g/mol
- Monoisotopic mass
- 400.998841
Names & identifiers
- Preferred name
- 4-Methyl-3-(1,1,1-trichloropropan-2-yl)phenyl 4-nitrobenzoate
- IUPAC
- [4-methyl-3-(1,1,1-trichloropropan-2-yl)phenyl] 4-nitrobenzoate
Names & synonyms
93320-52-64-methyl-3-(1,1,1-trichloropropan-2-yl)phenyl 4-nitrobenzoateNSC97662DTXSID50294699NSC-97662
Database identifiers
- CAS
93320-52-6- PubChem CID
- 263278
- DTXSID
DTXSID50294699
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
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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