3,5-Dibromo-4-nitrosobenzenesulfonate
Basic information
- CAS
83016-63-1- Standard SMILES
O=Nc1c(Br)cc(S(=O)(=O)O)cc1Br- InChIKey
NTFXNXQDQBCQSU-UHFFFAOYSA-N- Molecular formula
- C6H3Br2NO4S
- Average molar mass
- 344.97 g/mol
- Monoisotopic mass
- 342.81495
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3,5-Dibromo-4-nitrosobenzenesulfonate
- IUPAC
- 3,5-dibromo-4-nitrosobenzenesulfonic acid
- English name
- 3,5-dibromo-4-nitrosobenzenesulfonate
- Molecular formula
- C6H3Br2NO4S
- Molecular weight
- 0
Names & synonyms
DBNBS83016-63-13,5-Dibromo-4-nitrosobenzenesulfonateRefChem:91438Benzenesulfonic acid, 3,5-dibromo-4-nitroso-3,5-dibromo-4-nitrosobenzenesulfonic acidBenzenesulfonic acid,3,5-dibromo-4-nitroso-, sodium salt (1:1)3,5-Dibromo-4-nitrosobenzene-1-sulfonic acidorb3174699SCHEMBL1578378DTXSID2010030693,5-dibromo-4-nitrosobenzenesulphonic acid
Show more names
DBNBS;3,5-dibromo-4-nitrosobenzenesulfonic acid
Database identifiers
- CAS
83016-63-1- PubChem CID
- 115207
- DTXSID
DTXSID201003069- Nikkaji
- J387.251C
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
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Related reactions
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Compound notes
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