Methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Basic information
- CAS
1333222-42-6- Standard SMILES
COC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1CBr- InChIKey
ACFMLVDUFZHNLU-UHFFFAOYSA-N- Molecular formula
- C15H20BBrO4
- Average molar mass
- 355.03 g/mol
- Monoisotopic mass
- 354.0638
Names & identifiers
- Preferred name
- Methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- IUPAC
- methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- English name
- methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- Molecular formula
- C15H20BBrO4
- Molecular weight
- 355.03
Names & synonyms
1333222-42-6methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateMFCD13190787Benzoic acid, 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl esterSCHEMBL17386217DTXSID10745238ACFMLVDUFZHNLU-UHFFFAOYSA-NAKOS016013934Methyl2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoateBS-20912DB-255179G63963
Show more names
methyl 2-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzoate
Database identifiers
- CAS
1333222-42-6- PubChem CID
- 71304367
- DTXSID
DTXSID10745238
Properties
Computed structural properties
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 445.2 · 445.2±45.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
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Compound notes
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