[cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-3-methylbutanoate

CAS: 76489-33-3

Molecular Formula	`C25H22BrNO3`
Molecular Weight	464.3 g/mol
LogP	6.3
Topological Polar Surface Area	59.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	463.0783
Heavy Atoms	30
Complexity	586.0

Chemical Identifiers

CAS Number	76489-33-3
SMILES	`CC(C)C(C1=CC=C(C=C1)Br)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3`
InChIKey	`ZFQMDARKBVDVNW-UHFFFAOYSA-N`

📖 Product Overview

[cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-3-methylbutanoate (CAS: 76489-33-3) is a chemical compound with molecular formula C25H22BrNO3 and molecular weight 464.3 g/mol. Its IUPAC systematic name is [cyano-(3-phenoxyphenyl)methyl] 2-(4-bromophenyl)-3-methylbutanoate. LogP 6.3 Topological Polar Surface Area 59.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 8 Exact Mass 463.0783 Heavy Atoms 30 Complexity 586.0 InChI Key: ZFQMDARKBVDVNW-UHFFFAOYSA-N. SMILES: CC(C)C(C1=CC=C(C=C1)Br)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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