Basic information
- CAS
49619-45-6- Standard SMILES
O=C(OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]- InChIKey
SOFDTMPXXZJJMJ-UHFFFAOYSA-N- Molecular formula
- C14H8N2O7
- Average molar mass
- 316.22 g/mol
- Monoisotopic mass
- 316.0331506
Names & identifiers
- Preferred name
- o-Nitrobenzoic anhydride
- IUPAC
- (2-nitrobenzoyl) 2-nitrobenzoate
Names & synonyms
o-Nitrobenzoic anhydride49619-45-62-Nitrobenzoic anhydride2-Nitrophenyl anhydride #o-Nitrobenzoic acid anhydrideSCHEMBL2289848DTXSID80338358SOFDTMPXXZJJMJ-UHFFFAOYSA-N
Database identifiers
- CAS
49619-45-6- PubChem CID
- 548654
- DTXSID
DTXSID80338358- Nikkaji
- J624.289H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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