Basic information
- CAS
74363-98-7- Standard SMILES
O=[N+]([O-])c1c(Nc2cccc(B(O)O)c2)ccc2nonc12- InChIKey
ZIHJJKCIFVJSLG-UHFFFAOYSA-N- Molecular formula
- C12H9BN4O5
- Average molar mass
- 300.04 g/mol
- Monoisotopic mass
- 300.0665996
Names & identifiers
- Preferred name
- {3-[(4-Nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl}boronic acid
- IUPAC
- [3-[(4-nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl]boronic acid
Names & synonyms
74363-98-7DTXSID10823020{3-[(4-Nitro-2,1,3-benzoxadiazol-5-yl)amino]phenyl}boronic acid
Database identifiers
- CAS
74363-98-7- PubChem CID
- 71402016
- DTXSID
DTXSID10823020
Properties
Computed structural properties
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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