Basic information
- CAS
64511-86-0- Standard SMILES
O=C(O)c1ccc(NCC(O)COc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
COKSANTUGWXIER-UHFFFAOYSA-N- Molecular formula
- C16H16N2O6
- Average molar mass
- 332.31 g/mol
- Monoisotopic mass
- 332.10083623
Names & identifiers
- Preferred name
- Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-
- IUPAC
- 4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]benzoic acid
Names & synonyms
64511-86-0Benzoic acid, 4-((2-hydroxy-3-(4-nitrophenoxy)propyl)amino)-RefChem:10790974-((2-Hydroxy-3-(4-nitrophenoxy)propyl)amino)benzoic acidNSC173323BRN 2893873DTXSID501385014NSC 173323NSC-173323DS-007177Benzoic acid,4-[[2-hydroxy-3-(4-nitrophenoxy)propyl]amino]-
Database identifiers
- CAS
64511-86-0- PubChem CID
- 99099
- DTXSID
DTXSID501385014
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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