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Cas Database |
| Name |
1-Boc-6-chloroindole-2-boronic acid |
EINECS | N/A |
| CAS No. | 352359-22-9 | Density | 1.27 g/cm3 |
| PSA | 71.69000 | LogP | 1.75770 |
| Solubility | N/A | Melting Point |
110-113 |
| Formula | C13H15BClNO4 | Boiling Point | 471.4 °C at 760 mmHg |
| Molecular Weight | 295.53 | Flash Point | 238.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
1-BOC-6-CHLORO-2-INDOLEBORONIC ACID;1-BOC-6-CHLOROINDOLE-2-BORONIC ACID;1-(TERT-BUTOXYCARBONYL)-6-CHLORO-1H-INDOL-2-YLBORONIC ACID;6-Chloroindole-2-boronic acid, N-BOC protected;6-Chloroindole-2-boronic acid, N-BOC protected 98%;N-BOC-6-CHLOROINDOLE-2-BORONIC ACID;1H-Indole-1-carboxylic acid, 2-borono-6-chloro-, 1-(1,1-dimethylethyl) ester;1-(tert-butoxycarbonyl)-6-chloro-1H-indol-2-yl-2-boronic acid |
Article Data | 4 |
1-Boc-6-chloroindole-2-boronic acid Specification
This chemical is called 1H-Indole-1-carboxylicacid, 2-borono-6-chloro-, 1-(1,1-dimethylethyl) ester, and its CAS registry number is 352359-22-9. With the molecular formula of C13H15BClNO4, its molecular weight is 295.53.
Other characteristics of the1H-Indole-1-carboxylicacid, 2-borono-6-chloro-, 1-(1,1-dimethylethyl) ester can be summarised as followings: (1)ACD/LogP: 3.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.83; (4)ACD/LogD (pH 7.4): 3.7 ; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 71.69 Å2; (9)Index of Refraction: 1.559; (10)Molar Refractivity: 74.67 cm3; (11)Molar Volume: 231 cm3; (12)Polarizability: 29.6×10-24cm3; (13)Surface Tension: 42.6 dyne/cm; (14)Density: 1.27 g/cm3; (15)Flash Point: 238.9 °C; (16)Enthalpy of Vaporization: 77.34 kJ/mol; (17)Boiling Point: 471.4 °C at 760 mmHg; (18)Vapour Pressure: 1.09E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: B(c1cc2ccc(cc2n1C(=O)OC(C)(C)C)Cl)(O)O
2.InChI: InChI=1/C13H15BClNO4/c1-13(2,3)20-12(17)16-10-7-9(15)5-4-8(10)6-11(16)14(18)19/h4-7,18-19H,1-3H3
3.InChIKey: AHUWHEZTYPWOCY-UHFFFAOYAO
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