Basic information
- CAS
7471-30-9- Standard SMILES
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1[N+](=O)[O-]- InChIKey
KJUUWRYIMNTSLH-UHFFFAOYSA-N- Molecular formula
- C14H10N2O6
- Average molar mass
- 302.24 g/mol
- Monoisotopic mass
- 302.05388604
Names & identifiers
- Preferred name
- 4-Nitrobenzyl 2-nitrobenzoate
- IUPAC
- (4-nitrophenyl)methyl 2-nitrobenzoate
Names & synonyms
4-nitrobenzyl 2-nitrobenzoate7471-30-9DTXSID10323318RefChem:295068DTXCID10274437(4-nitrophenyl)methyl 2-nitrobenzoateNSC403576CHEMBL2089325MFCD00820020AKOS001723821NSC-403576EU-0051173
Show more names
AG-205/40056122SR-01000089642SR-01000089642-1
Database identifiers
- CAS
7471-30-9- PubChem CID
- 345795
- DTXSID
DTXSID10323318- ChEMBL
CHEMBL2089325
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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