Benzoic acid, p-nitro-, o-tolyl ester
Basic information
- CAS
5421-45-4- Standard SMILES
Cc1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1- InChIKey
JPSZFHPZVGXCEL-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Names & identifiers
- Preferred name
- Benzoic acid, p-nitro-, o-tolyl ester
- IUPAC
- (2-methylphenyl) 4-nitrobenzoate
Names & synonyms
Benzoic acid, p-nitro-, o-tolyl ester5421-45-4DTXSID20278289RefChem:327954DTXCID102294472-methylphenyl 4-nitrobenzoate4-Nitrobenzoic acid, 2-methylphenyl ester(2-methylphenyl) 4-nitrobenzoateo-tolyl 4-nitrobenzoateOprea1_005653Oprea1_139283NSC6920
Show more names
JPSZFHPZVGXCEL-UHFFFAOYSA-NNSC-6920NSC98398NSC-98398NSC405527STK099683AKOS000491067NSC-405527
Database identifiers
- CAS
5421-45-4- PubChem CID
- 221844
- DTXSID
DTXSID20278289- Nikkaji
- J2.917.220J
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 331
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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