2-(Benzyloxy)-4-nitrobenzoic acid
Basic information
- CAS
5340-21-6- Standard SMILES
O=C(O)c1ccc([N+](=O)[O-])cc1OCc1ccccc1- InChIKey
LXYSQNGVLVKMDZ-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 2-(Benzyloxy)-4-nitrobenzoic acid
- IUPAC
- 4-nitro-2-phenylmethoxybenzoic acid
- English name
- 3,9-dihydroxy-2,2,4,4-tetramethyl-7-oxido-3,9-diaza-7-azoniabicyclo[4.3.0]non-6-ene
- Molecular formula
- C10H19N3O3
- Molecular weight
- 229.27616
Names & synonyms
2-(Benzyloxy)-4-nitrobenzoic acid4-nitro-2-phenylmethoxybenzoic acidNSC883SCHEMBL1647948NIOSH/DG43407004-Nitro-2-benzyloxybenzoic acidDTXSID70968062NSC-883LXYSQNGVLVKMDZ-UHFFFAOYSA-NAKOS013365128Benzoic acid, 2-(benzyloxy)-4-nitro-DG43407000
Show more names
3,9-dihydroxy-2,2,4,4-tetramethyl-7-oxido-3,9-diaza-7-azoniabicyclo[4.3.0]non-6-ene
A1-27927
Database identifiers
- CAS
5340-21-6- PubChem CID
- 219489
- DTXSID
DTXSID70968062
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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