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260267-07-0

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Basic Information
CAS No.: 260267-07-0
Name: 5,6-Difluoro-1H-indole-3-carboxaldehyde
Article Data: 7
Molecular Structure:
Molecular Structure of 260267-07-0 (5,6-Difluoro-1H-indole-3-carboxaldehyde)
Formula: C9H5F2NO
Molecular Weight: 181.14
Synonyms: 1H-indole-3-carboxaldehyde, 5,6-difluoro-;
Density: 1.485 g/cm3
Boiling Point: 348.2 °C at 760 mmHg
Flash Point: 164.4 °C
PSA: 32.86000
LogP: 2.25860
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Specification

The 5,6-Difluoro-1H-indole-3-carboxaldehyde with the CAS number 260267-07-0 is also called 1H-indole-3-carboxaldehyde, 5,6-difluoro-. Its molecular formula is C9H5F2NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5,6-Difluoro-1H-indole-3-carboxaldehyde are: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.7; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 11.49; (6)ACD/BCF (pH 7.4): 11.49; (7)ACD/KOC (pH 5.5): 199.74; (8)ACD/KOC (pH 7.4): 199.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.86 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 45.26 cm3; (15)Molar Volume: 121.9 cm3; (16)Polarizability: 17.94×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Enthalpy of Vaporization: 59.25 kJ/mol; (19)Vapour Pressure: 5.12×10-5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1F)ncc2C=O
(2)InChI: InChI=1/C9H5F2NO/c10-7-1-6-5(4-13)3-12-9(6)2-8(7)11/h1-4,12H
(3)InChIKey: JVFNNILBFBSJLA-UHFFFAOYAE