3-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-2-[(4-bromophenyl)sulfonyl]-2-propenenitrile
Basic information
- CAS
876532-12-6- Standard SMILES
CCOc1cc(C=C(C#N)S(=O)(=O)c2ccc(Br)cc2)cc(Br)c1O- InChIKey
SEWRYUNVNHRCAU-UHFFFAOYSA-N- Molecular formula
- C17H13Br2NO4S
- Average molar mass
- 487.2 g/mol
- Monoisotopic mass
- 484.8932
Names & identifiers
- Preferred name
- 3-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-2-[(4-bromophenyl)sulfonyl]-2-propenenitrile
- IUPAC
- 3-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2-(4-bromophenyl)sulfonylprop-2-enenitrile
Names & synonyms
DTXSID301132261AKOS0347247103-(3-Bromo-5-ethoxy-4-hydroxyphenyl)-2-[(4-bromophenyl)sulfonyl]-2-propenenitrile876532-12-62-(4-Bromobenzene-1-sulfonyl)-3-(3-bromo-5-ethoxy-4-hydroxyphenyl)prop-2-enenitrile
Database identifiers
- CAS
876532-12-6- PubChem CID
- 4964041
- DTXSID
DTXSID301132261
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 95.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 629
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Compound notes
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