Basic information
- CAS
95710-83-1- Standard SMILES
COC(=O)c1ccc([N+](=O)[O-])cc1OS(C)(=O)=O- InChIKey
UGDXQXQYPKSVTA-UHFFFAOYSA-N- Molecular formula
- C9H9NO7S
- Average molar mass
- 275.24 g/mol
- Monoisotopic mass
- 275.0099728
Names & identifiers
- Preferred name
- Methyl 2-[(methanesulfonyl)oxy]-4-nitrobenzoate
- IUPAC
- methyl 2-methylsulfonyloxy-4-nitrobenzoate
Names & synonyms
95710-83-1Methyl 2-methanesulfonyloxy-4-nitrobenzoateMethyl 2-[(methanesulfonyl)oxy]-4-nitrobenzoateSCHEMBL10786764DTXSID50632855UGDXQXQYPKSVTA-UHFFFAOYSA-N
Database identifiers
- CAS
95710-83-1- PubChem CID
- 23320160
- DTXSID
DTXSID50632855
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 421
Related reactions
4 records
Compound notes
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