Benzeneboronic acid, cyclic ((o-chlorophenoxy)methyl)ethylene ester
Basic information
- CAS
2412-74-0- Standard SMILES
Clc1ccccc1OCC1COB(c2ccccc2)O1- InChIKey
CYBDTKBNMLHPOR-UHFFFAOYSA-N- Molecular formula
- C15H14BClO3
- Average molar mass
- 288.5 g/mol
- Monoisotopic mass
- 288.0724522
Names & identifiers
- Preferred name
- Benzeneboronic acid, cyclic ((o-chlorophenoxy)methyl)ethylene ester
- IUPAC
- 4-[(2-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane
Names & synonyms
BRN 30371262412-74-0T-9101,3,2-Dioxaborolane, 4-((2-chlorophenoxy)methyl)-2-phenyl-1,3-Dioxa-2-boracyclopentane, 4-((o-chlorophenoxy)methyl)-2-phenyl-Benzeneboronic acid, cyclic ((o-chlorophenoxy)methyl)ethylene esterRefChem:3243544-[(2-chlorophenoxy)methyl]-2-phenyl-1,3,2-dioxaborolane4-((2-Chlorophenoxy)methyl)-2-phenyl-1,3,2-dioxaborolaneDTXSID90946948
Database identifiers
- CAS
2412-74-0- PubChem CID
- 200638
- DTXSID
DTXSID90946948
Properties
Computed structural properties
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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