2-Amino-3,5-dinitrobenzenesulfonic acid
Basic information
- CAS
4515-38-2- Standard SMILES
Nc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1S(=O)(=O)O- InChIKey
CDHBWSKXNYYXPJ-UHFFFAOYSA-N- Molecular formula
- C6H5N3O7S
- Average molar mass
- 263.19 g/mol
- Monoisotopic mass
- 262.98482068
Overview
See also: 2,4-dinitroaniline-6-sulfonic acid sodium salt (annotation moved to).
Names & identifiers
- Preferred name
- 2-Amino-3,5-dinitrobenzenesulfonic acid
- IUPAC
- 2-amino-3,5-dinitrobenzenesulfonic acid
Names & synonyms
2-amino-3,5-dinitrobenzenesulfonic acid4515-38-2Benzenesulfonic acid, 2-amino-3,5-dinitro-NSC-369405T5RH96763UNII-5T5RH96763NSC36940SCHEMBL6935992DTXSID00963348NSC 369402-Amino-3,5-dinitrobenzene-1-sulfonic acidQ27262833
Database identifiers
- CAS
4515-38-2- PubChem CID
- 235503
- DTXSID
DTXSID00963348- UNII
- 5T5RH96763
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 180 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 418
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Related reactions
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Compound notes
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