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Basic information
- Standard SMILES
Cc1cc(O)c([N+](=O)[O-])cc1OS(C)(=O)=O- InChIKey
DXRRECKJJKVAGJ-UHFFFAOYSA-N- Molecular formula
- C8H9NO6S
- Average molar mass
- 247.23 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-2-methyl-5-nitrophenyl methanesulfonate
- IUPAC
- (4-hydroxy-2-methyl-5-nitrophenyl) methanesulfonate
Names & synonyms
SCHEMBL91968112-methyl-4-hydroxy-5-nitrophenyl mesylate4-hydroxy-2-methyl-5-nitrophenyl methanesulfonate1,4-benzenediol, 2-methyl-5-nitro-, 1-methanesulfonate
Database identifiers
- PubChem CID
- 19821144
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 356
Related reactions
3 records
Compound notes
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