Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester
Basic information
- CAS
53271-19-5- Standard SMILES
O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1- InChIKey
JTDCQHDVMWJUEB-UHFFFAOYSA-N- Molecular formula
- C12H8BrNO5S
- Average molar mass
- 358.17 g/mol
- Monoisotopic mass
- 356.93066
Names & identifiers
- Preferred name
- Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) 4-bromobenzenesulfonate
Names & synonyms
Benzenesulfonic acid, p-bromo-, p-nitrophenyl ester53271-19-5DTXSID00201398RefChem:1078724DTXCID00123889p-Nitrophenyl p-bromobenzenesulfonate4-nitrophenyl 4-bromobenzenesulfonate(4-nitrophenyl) 4-bromobenzenesulfonateBRN 2882865AI3-03743Benzenesulfonic acid, 4-bromo-, 4-nitrophenyl ester3-11-00-00100 (Beilstein Handbook Reference)
Show more names
NSC406695AKOS008677985NSC 406695NSC-4066954-Nitrophenyl 4-bromobenzene-1-sulfonate
Database identifiers
- CAS
53271-19-5- PubChem CID
- 101332
- DTXSID
DTXSID00201398
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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