Propan-2-yl 2-nitrobenzoate
Basic information
- CAS
947-80-8- Standard SMILES
CC(C)OC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
AAOFULNKZPHNQJ-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- Propan-2-yl 2-nitrobenzoate
- IUPAC
- propan-2-yl 2-nitrobenzoate
Names & synonyms
propan-2-yl 2-nitrobenzoateISOPROPYL 2-NITROBENZOATE947-80-81-Methylethyl 2-nitrobenzoateSCHEMBL25590217DTXSID601307360AKOS002723483SR-01000273995SR-01000273995-1
Database identifiers
- CAS
947-80-8- PubChem CID
- 977802
- DTXSID
DTXSID601307360- Nikkaji
- J2.523.756K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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