Products Categories
| CAS No.: | 1007206-54-3 |
|---|---|
| Name: | 1H-Benzimidazole-5-boronic acid, pinacol ester |
| Molecular Structure: | |
|
|
|
| Formula: | C13H17BN2O2 |
| Molecular Weight: | 244.101 |
| Synonyms: | 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-benzimidazole;6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzo[d]imidazole; |
| Density: | 1.2±0.1 g/cm3 |
| Melting Point: | 202-206°C |
| Boiling Point: | 495.2±51.0 °C at 760 mmHg |
| Flash Point: | 253.3±30.4 °C |
| PSA: | 47.14000 |
| LogP: | 1.86210 |
- 144851-82-1METHYL2-AMINO-3-FLUOROBENZOATE
- 483366-12-7(2S,4R)-1-Boc-2-cyano-4-hydroxypyrrolidine
- 173606-50-3BOC-10-AMINODECANOIC ACID
- 361456-36-2METHYL (R)-(+)-ISOCYANATO-3-PHENYLPROPI&
- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
- 81281-59-67-Benzylideneaminotheophylline
- 50288-62-5threo-Phenyl-2-piperidyl acetamide
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 47087-37-6Z-D-Glu-OMe
- 1219080-61-1IMIDAZOLE-2-BORONIC ACID
What can I do for you?
Get Best Price
Specification
The 1H-Benzimidazole-5-boronic acid pinacol ester, with the CAS registry number 1007206-54-3, is also known as 5-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-benzimidazole. This chemical's molecular formula is C13H17BN2O2 and molecular weight is 244.10. What's more, its systematic name is 3-Hydroxy-2,3-dimethyl-2-butanyl hydrogen 1H-benzimidazol-5-ylboronate.
Physical properties of 1H-Benzimidazole-5-boronic acid pinacol ester are: (1)ACD/LogP: 2.10±1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.28; (5)ACD/BCF (pH 5.5): 15.81; (6)ACD/BCF (pH 7.4): 3.47; (7)ACD/KOC (pH 5.5): 224.71; (8)ACD/KOC (pH 7.4): 49.31; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.37 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 72.1±0.4 cm3; (15)Molar Volume: 219.0±5.0 cm3; (16)Polarizability: 28.6±0.5×10-24cm3; (17)Surface Tension: 51.6±5.0 dyne/cm; (18)Density: 1.2±0.1 g/cm3; (19)Flash Point: 253.3±30.4 °C; (20)Enthalpy of Vaporization: 80.3±3.0 kJ/mol; (21)Boiling Point: 495.2±51.0 °C at 760 mmHg; (22)Vapour Pressure: 0.0±1.3 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc2c(c1)nc[nH]2)(O)OC(C)(C)C(C)(C)O
(2)Std. InChI: InChI=1S/C13H19BN2O3/c1-12(2,17)13(3,4)19-14(18)9-5-6-10-11(7-9)16-8-15-10/h5-8,17-18H,1-4H3,(H,15,16)
(3)Std. InChIKey: MAQXSPJCXWSFFK-UHFFFAOYSA-N