Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate
Basic information
- CAS
65363-04-4- Standard SMILES
N#CC(OC(=O)C(c1ccc(Br)cc1)C1CC1)c1cccc(Oc2ccccc2)c1- InChIKey
QTNOMFMTNYPFMM-UHFFFAOYSA-N- Molecular formula
- C25H20BrNO3
- Average molar mass
- 462.3 g/mol
- Monoisotopic mass
- 461.06266
Names & identifiers
- Preferred name
- Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetate
- IUPAC
- [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-2-cyclopropylacetate
- English name
- 4-Bromo-α-cyclopropylbenzeneacetic acid cyano(3-phenoxyphenyl)methyl ester
- Molecular formula
- C25H20BrNO3
- Molecular weight
- 462.34
Names & synonyms
65363-04-4DTXSID00983980Cyano(3-phenoxyphenyl)methyl (4-bromophenyl)(cyclopropyl)acetateRefChem:1082377DTXCID701411203NRDC 180BRN 2190006Benzeneacetic acid, 4-bromo-alpha-(1-cyclopropyl)-, cyano(3-phenoxyphenyl)methyl esterSCHEMBL11350763NRDC-180Reaxys ID: 21900064-Bromo-α-cyclopropylbenzeneacetic acid cyano(3-phenoxyphenyl)methyl ester
Show more names
Benzeneacetic acid, 4-bromo-α-cyclopropyl-, cyano(3-phenoxyphenyl)methyl ester
Database identifiers
- CAS
65363-04-4- PubChem CID
- 47611
- DTXSID
DTXSID00983980- Nikkaji
- J149.251I
Properties
Computed structural properties
- XLogP
- 6
- 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
- 613
Physicochemical properties
- Boiling point
- 574.8 · 574.8±50.0 °C(Predicted)
- Density
- 1.414 · 1.414±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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