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1-Boc-5-fluoroindole-2-boronic acid

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Name

1-Boc-5-fluoroindole-2-boronic acid

EINECS N/A
CAS No. 352359-23-0 Density 1.24g/cm3
PSA 71.69000 LogP 1.24340
Solubility N/A Melting Point 130-140 °C
Formula C13H15BFNO4 Boiling Point 446.5 °C at 760 mmHg
Molecular Weight 279.076 Flash Point 223.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 352359-23-0 (1-Boc-5-fluoroindole-2-boronic acid) Hazard Symbols IrritantXi
Synonyms

[1-[[(1,1-Dimethylethyl)oxy]carbonyl]-5-fluoro-1H-indol-2-yl]boronicacid;

Article Data 4

1-Boc-5-fluoroindole-2-boronic acid Specification

The 1-Boc-5-fluoroindole-2-boronic acid with its cas register number is 352359-23-0. It also can be called asN-tert-Butoxycarbonyl-5-fluoro-1H-indole-2-boronic acid and the IUPAC Name about this chemical is [5-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid. It belongs to the following product categories, such as blocks, BoronicAcids, FluoroCompounds, IndolesOxindoles and so on.

Physical properties about 1-Boc-5-fluoroindole-2-boronic acid are: (1)ACD/LogP: 3.29; (2)ACD/LogD (pH 5.5): 3.28; (3)ACD/LogD (pH 7.4): 3.14; (4)ACD/BCF (pH 5.5): 183.79; (5)ACD/BCF (pH 7.4): 131.13; (6)ACD/KOC (pH 5.5): 1451.35; (7)ACD/KOC (pH 7.4): 1035.52; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 49.69Å2; (12)Index of Refraction: 1.534; (13)Molar Refractivity: 69.94 cm3; (14)Molar Volume: 224.6 cm3; (15)Polarizability: 27.72x10-24cm3; (16)Surface Tension: 39.1 dyne/cm; (17)Enthalpy of Vaporization: 74.26 kJ/mol; (18)Vapour Pressure: 9.36E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)F)(O)O
(2)InChI: InChI=1S/C13H15BFNO4/c1-13(2,3)20-12(17)16-10-5-4-9(15)6-8(10)7-11(16)14(18)19/h4-7,18-19H,1-3H3
(3)InChIKey: TZHYEXHDCFQZGG-UHFFFAOYSA-N

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