Benzhydryl 4-nitrobenzoate
Basic information
- CAS
25115-94-0- Standard SMILES
O=C(OC(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1- InChIKey
CHMVNCZOEUNBIJ-UHFFFAOYSA-N- Molecular formula
- C20H15NO4
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.10010796
Names & identifiers
- Preferred name
- Benzhydryl 4-nitrobenzoate
- IUPAC
- benzhydryl 4-nitrobenzoate
Names & synonyms
benzhydryl 4-nitrobenzoate25115-94-0DTXSID10296199RefChem:325726DTXCID00247337diphenylmethyl 4-nitrobenzoateBenzenemethanol, a-phenyl-, 4-nitrobenzoate (9CI)NSC108261AKOS003650944NSC-108261DS-006926ST45104264
Database identifiers
- CAS
25115-94-0- PubChem CID
- 268145
- DTXSID
DTXSID10296199- Nikkaji
- J438.013D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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