Basic information
- CAS
32353-14-3- Standard SMILES
COc1ccc(C(OC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1- InChIKey
VLMKZMQJNMVWEN-UHFFFAOYSA-N- Molecular formula
- C21H17NO5
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.11067264
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)(phenyl)methyl 4-nitrobenzoate
- IUPAC
- [(4-methoxyphenyl)-phenylmethyl] 4-nitrobenzoate
Names & synonyms
32353-14-3(4-methoxyphenyl)(phenyl)methyl 4-nitrobenzoateNSC108263DTXSID60296200NSC-108263
Database identifiers
- CAS
32353-14-3- PubChem CID
- 268147
- DTXSID
DTXSID60296200
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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