Basic information
- CAS
75491-92-8- Standard SMILES
CC1(C)C(C(C#N)c2cccc(Oc3ccccc3)c2)C1C(Br)C(Cl)(Cl)Br- InChIKey
XZIRDRLLFUJAHT-UHFFFAOYSA-N- Molecular formula
- C21H19Br2Cl2NO
- Average molar mass
- 532.1 g/mol
- Monoisotopic mass
- 528.92104
Names & identifiers
- Preferred name
- [3-(1,2-Dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropyl](3-phenoxyphenyl)acetonitrile
- IUPAC
- 2-[3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropyl]-2-(3-phenoxyphenyl)acetonitrile
Names & synonyms
75491-92-8RU 25475[3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropyl](3-phenoxyphenyl)acetonitrileDTXSID80996952Benzeneacetonitrile, .alpha.-(3-(1,2-dibromo-2,2-dichloroethyl)-2,2-dimethylcyclopropyl)-3-phenoxy-
Database identifiers
- CAS
75491-92-8- PubChem CID
- 190029
- DTXSID
DTXSID80996952
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 570
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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