Basic information
- CAS
66827-38-1- Standard SMILES
CC(C)C(C(=O)OC(C#N)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1- InChIKey
MKLAMBQQMOQHPH-UHFFFAOYSA-N- Molecular formula
- C25H22ClNO3
- Average molar mass
- 419.9 g/mol
- Monoisotopic mass
- 419.1288213
Names & identifiers
- Preferred name
- SD-43775
- IUPAC
- [cyano-(4-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
- English name
- 2-(p-Chlorophenyl)-2-isopropylacetic acid cyano(p-phenoxyphenyl)methyl ester
- Molecular formula
- C25H22ClNO3
- Molecular weight
- 419.9
Names & synonyms
66827-38-1SD-43775DTXSID8058451RefChem:1098382DTXCID8032209ACETIC ACID, 2-(p-CHLOROPHENYL)-2-ISOPROPYL-, CYANO(p-PHENOXYPHENYL)METHYL ESTERCyano(4-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoateEsfenvalerate, isomer 1[cyano-(4-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoateCyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate)MKLAMBQQMOQHPH-UHFFFAOYSA-N2-(p-Chlorophenyl)-2-isopropylacetic acid cyano(p-phenoxyphenyl)methyl ester
Show more names
Benzeneacetic acid, 4-chloro-α-(1-methylethyl)-, cyano(4-phenoxyphenyl)methyl ester
Database identifiers
- CAS
66827-38-1- PubChem CID
- 48080
- DTXSID
DTXSID8058451- Nikkaji
- J85.225B
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 578
Chemistry & industry
Applications
UsesCyano(4-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate isi a useful chemical reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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