Basic information
- CAS
61389-09-1- Standard SMILES
O=C(CBr)Nc1ccc(S(=O)(=O)[O-])cc1.[NH4+]- InChIKey
MAPKPCWBYRIZKV-UHFFFAOYSA-N- Molecular formula
- C8H11BrN2O4S
- Average molar mass
- 311.16 g/mol
- Monoisotopic mass
- 309.96229
Overview
structure
Names & identifiers
- Preferred name
- Bromoacetylsulfanilic acid
- IUPAC
- azanium 4-[(2-bromoacetyl)amino]benzenesulfonate
Names & synonyms
Bromoacetylsulfanilic acid61389-09-1DTXSID20210306RefChem:121544DTXCID80132797Ammonium bromoacetylsulfanilateBromoacetylsulfanilic acid ammonium saltazanium;4-[(2-bromoacetyl)amino]benzenesulfonateAmmonium 4-(2-bromoacetamido)benzene-1-sulfonateBenzenesulfonic acid, 4-((bromoacetyl)amino)-, monoammonium salt
Database identifiers
- CAS
61389-09-1- PubChem CID
- 3045409
- DTXSID
DTXSID20210306
Properties
Computed structural properties
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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