2-Methyl-4-methoxy-5-aminophenyl mesylate
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Basic information
- Standard SMILES
COc1cc(C)c(OS(C)(=O)=O)cc1N- InChIKey
USTMCAQDAYCEPH-UHFFFAOYSA-N- Molecular formula
- C9H13NO4S
- Average molar mass
- 231.27 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-methoxy-5-aminophenyl mesylate
- IUPAC
- (5-amino-4-methoxy-2-methylphenyl) methanesulfonate
Names & synonyms
SCHEMBL9191966USTMCAQDAYCEPH-UHFFFAOYSA-N2-methyl-4-methoxy-5-aminophenyl mesylate
Database identifiers
- PubChem CID
- 19821148
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
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Related reactions
5 records
Compound notes
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