4-Nitrophenyl 3-methoxybenzoate
Basic information
- CAS
36718-85-1- Standard SMILES
COc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)c1- InChIKey
UFTJORSNWKUIQS-UHFFFAOYSA-N- Molecular formula
- C14H11NO5
- Average molar mass
- 273.24 g/mol
- Monoisotopic mass
- 273.06372245
Names & identifiers
- Preferred name
- 4-Nitrophenyl 3-methoxybenzoate
- IUPAC
- (4-nitrophenyl) 3-methoxybenzoate
Names & synonyms
4-nitrophenyl 3-methoxybenzoate36718-85-1DTXSID60336352RefChem:1071301DTXCID10287441m-Anisic acid, 4-nitrophenyl esterOprea1_308265UFTJORSNWKUIQS-UHFFFAOYSA-NSTK388104AKOS003646914ST45058660
Database identifiers
- CAS
36718-85-1- PubChem CID
- 532541
- DTXSID
DTXSID60336352
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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