Basic information
- CAS
43002-00-2- Standard SMILES
CS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1N- InChIKey
RVMXXBKHMJQXLJ-UHFFFAOYSA-N- Molecular formula
- C7H7BrN2O4S
- Average molar mass
- 295.11 g/mol
- Monoisotopic mass
- 293.93099
Names & identifiers
- Preferred name
- 2-Bromo-6-(mesyl)-4-nitroaniline
- IUPAC
- 2-bromo-6-methylsulfonyl-4-nitroaniline
- English name
- 2-bromo-6-(mesyl)-4-nitroaniline
- Molecular formula
- C7H7BrN2O4S
- Molecular weight
- 295.11
Names & synonyms
2-Bromo-6-(mesyl)-4-nitroaniline43002-00-2EINECS 256-045-3SCHEMBL9349723DTXSID00195627RVMXXBKHMJQXLJ-UHFFFAOYSA-N2-Bromo-6-(methanesulfonyl)-4-nitroanilineNS00031281Benzenamine, 2-bromo-6-(methylsulfonyl)-4-nitro-
Database identifiers
- CAS
43002-00-2- PubChem CID
- 3016402
- DTXSID
DTXSID00195627- EC Number
- 256-045-3
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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