Basic information
- CAS
14688-12-1- Standard SMILES
Nc1ccc([N+](=O)[O-])cc1S(=O)O- InChIKey
YSVVZGZNUFOJHV-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4S
- Average molar mass
- 202.19 g/mol
- Monoisotopic mass
- 202.00482785
Names & identifiers
- Preferred name
- Benzenesulfinic acid, 2-amino-5-nitro-
- IUPAC
- 2-amino-5-nitrobenzenesulfinic acid
- English name
- 2-Amino-5-nitrobenzenesulfinic acid
- Molecular formula
- C6H6N2O4S
- Molecular weight
- 202.19
Names & synonyms
Benzenesulfinic acid, 2-amino-5-nitro-14688-12-12-Amino-5-nitrobenzenesulfininc acidDTXSID80884764RefChem:563683DTXCID2010241882-amino-5-nitrobenzenesulfinic acid2-amino-5-nitrobenzene-1-sulfinic acidSCHEMBL8601365YSVVZGZNUFOJHV-UHFFFAOYSA-N
Database identifiers
- CAS
14688-12-1- PubChem CID
- 84594
- DTXSID
DTXSID80884764- Nikkaji
- J421.926K
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzenesulfinic acid, 2-amino-5-nitro- (14688-12-1)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfinic acid, 2-amino-5-nitro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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