4-Nitrophenyl 2-azidobenzoate
Basic information
- CAS
78995-59-2- Standard SMILES
[N-]=[N+]=Nc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])cc1- InChIKey
YWWFLFSEWRWIND-UHFFFAOYSA-N- Molecular formula
- C13H8N4O4
- Average molar mass
- 284.23 g/mol
- Monoisotopic mass
- 284.05455475
Names & identifiers
- Preferred name
- 4-Nitrophenyl 2-azidobenzoate
- IUPAC
- (4-nitrophenyl) 2-azidobenzoate
- English name
- 4-nitrophenyl 2-azidobenzoate
- Molecular formula
- C13H8N4O4
- Molecular weight
- 0
Names & synonyms
4-Nitrophenyl 2-azidobenzoatePNPAB78995-59-2para-Nitrophenyl 2-azidobenzoateDTXSID30229484Benzoic acid, 2-azido-, 4-nitrophenyl esterRefChem:100083DTXCID50151975SCHEMBL30605156
Database identifiers
- CAS
78995-59-2- PubChem CID
- 133149
- DTXSID
DTXSID30229484
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 86.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 436
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Related reactions
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Compound notes
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