3-Chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Basic information
- CAS
2271133-59-4- Standard SMILES
CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
QJPVHYCZVWSMTK-UHFFFAOYSA-N- Molecular formula
- C14H19BClNO3
- Average molar mass
- 295.57 g/mol
Names & identifiers
- Preferred name
- 3-Chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- IUPAC
- 3-chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
- English name
- Benzamide, 3-chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
- Molecular formula
- C14H19BClNO3
- Molecular weight
- 295.57
Names & synonyms
2271133-59-43-Chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide3-Chloro-N-methyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamideMFCD187303733-Chloro-N-methyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzamideBenzamide, 3-chloro-N-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-CS-0177620F75918F864940A1-11038
Database identifiers
- CAS
2271133-59-4- Nikkaji
- J3.801.634B
Properties
Computed structural properties
- Topological polar surface area
- 47.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Physicochemical properties
- Boiling point
- 405.7 · 405.7±40.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 14.58 · 14.58±0.46(Predicted)
- Appearance
- White to off-white Solid
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Compound notes
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