(4-Nitroanilino)methanesulfonic acid
Basic information
- CAS
81251-72-1- Standard SMILES
O=[N+]([O-])c1ccc(NCS(=O)(=O)O)cc1- InChIKey
IURDXOSPFRUATL-UHFFFAOYSA-N- Molecular formula
- C7H8N2O5S
- Average molar mass
- 232.22 g/mol
- Monoisotopic mass
- 232.01539253
Names & identifiers
- Preferred name
- (4-Nitroanilino)methanesulfonic acid
- IUPAC
- (4-nitroanilino)methanesulfonic acid
Names & synonyms
NSC24376281251-72-1(4-nitroanilino)methanesulfonic acidDTXSID00311522NSC-243762
Database identifiers
- CAS
81251-72-1- PubChem CID
- 316239
- DTXSID
DTXSID00311522
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
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Related reactions
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Compound notes
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