Methyl 3,6-dimethyl-2-nitrobenzoate
Basic information
- CAS
27022-99-7- Standard SMILES
COC(=O)c1c(C)ccc(C)c1[N+](=O)[O-]- InChIKey
MXZWMVAHSDGMKB-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Names & identifiers
- Preferred name
- Methyl 3,6-dimethyl-2-nitrobenzoate
- IUPAC
- methyl 3,6-dimethyl-2-nitrobenzoate
Names & synonyms
27022-99-7methyl 3,6-dimethyl-2-nitrobenzoateNSC125062SCHEMBL12190644DTXSID30298655NSC-125062
Database identifiers
- CAS
27022-99-7- PubChem CID
- 276733
- DTXSID
DTXSID30298655
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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