(1-Phenylcyclobutyl) 3,5-dinitrobenzoate
Basic information
- CAS
18592-80-8- Standard SMILES
O=C(OC1(c2ccccc2)CCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1- InChIKey
MFGITMZHASGRQN-UHFFFAOYSA-N- Molecular formula
- C17H14N2O6
- Average molar mass
- 342.3 g/mol
- Monoisotopic mass
- 342.08518617
Names & identifiers
- Preferred name
- (1-Phenylcyclobutyl) 3,5-dinitrobenzoate
- IUPAC
- (1-phenylcyclobutyl) 3,5-dinitrobenzoate
Names & synonyms
(1-phenylcyclobutyl) 3,5-dinitrobenzoate18592-80-8NSC249238DTXSID403120531-Phenylcyclobutyl 3,5-dinitrobenzoateNSC-249238DS-000024
Database identifiers
- CAS
18592-80-8- PubChem CID
- 317440
- DTXSID
DTXSID40312053
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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