Methyl 1-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarboxylate
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Basic information
- Standard SMILES
COC(=O)C1(c2ccc(B3OC(C)(C)C(C)(C)O3)c(Cl)c2)CCC1- InChIKey
PPCCDVBLRPMXKQ-UHFFFAOYSA-N- Molecular formula
- C18H24BClO4
- Average molar mass
- 350.6 g/mol
Names & identifiers
- Preferred name
- Methyl 1-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarboxylate
- IUPAC
- methyl 1-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclobutane-1-carboxylate
Names & synonyms
SCHEMBL2128670PPCCDVBLRPMXKQ-UHFFFAOYSA-Nmethyl 1-(3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclobutanecarboxylate
Database identifiers
- PubChem CID
- 59627692
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 487
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Related reactions
4 records
Compound notes
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