2-(Pyridin-2-yl)ethyl 3-nitrobenzoate
Basic information
- CAS
6622-42-0- Standard SMILES
O=C(OCCc1ccccn1)c1cccc([N+](=O)[O-])c1- InChIKey
VITHPDHRVVZPFT-UHFFFAOYSA-N- Molecular formula
- C14H12N2O4
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.07970687
Names & identifiers
- Preferred name
- 2-(Pyridin-2-yl)ethyl 3-nitrobenzoate
- IUPAC
- 2-pyridin-2-ylethyl 3-nitrobenzoate
Names & synonyms
MLS0026678986622-42-02-(pyridin-2-yl)ethyl 3-nitrobenzoate2-Pyridineethanol,2-(3-nitrobenzoate)NSC57716NCIOpen2_002539CHEMBL2142205DTXSID10288817HMS3089B19NSC-57716NSC406956NSC-406956
Show more names
SMR001557655DS-004460
Database identifiers
- CAS
6622-42-0- PubChem CID
- 245608
- DTXSID
DTXSID10288817- ChEMBL
CHEMBL2142205
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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