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5,6-Difluoro-1H-indole-3-acetic acid (126030-73-7)

Identification
Name:5,6-Difluoro-1H-indole-3-acetic acid
Synonyms:1H-indole-3-acetic acid, 5,6-difluoro-;(5,6-Difluoro-1H-indol-3-yl)acetic acid;
CAS:126030-73-7
Molecular Formula: C10H7F2NO2
Molecular Weight: 211.16
Molecular Structure: (C10H7F2NO2) 1H-indole-3-acetic acid, 5,6-difluoro-;(5,6-Difluoro-1H-indol-3-yl)acetic acid;
Properties
Density:1.533
Specification:

The systematic name of 5,6-Difluoro-1H-indole-3-acetic acid is 1H-indole-3-acetic acid, 5,6-difluoro-. With the CAS registry number 126030-73-7, it is also named as (5,6-Difluoro-1H-indol-3-yl)acetic acid. In addition, its molecular formula is C10H7F2NO2 and its molecular weight is 211.16. 

The other characteristics of 5,6-Difluoro-1H-indole-3-acetic acid can be summarized as: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.422; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 11.212; (7)ACD/KOC (pH 7.4): 1; (8)H bond acceptors: 3; (9)H bond donors: 2; (10)Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.09 Å2; (12)Index of Refraction: 1.64; (13)Molar Refractivity: 49.63 cm3; (14)Molar Volume: 137.734 cm3; (15)Polarizability: 19.675×10-24cm3; (16)Surface Tension: 60.01 dyne/cm; (17)Density: 1.533 g/cm3; (18)Flash Point: 209.646 °C; (19)Enthalpy of Vaporization: 71.403 kJ/mol; (20)Boiling Point: 423.037 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:c1c2c(cc(c1F)F)[nH]cc2CC(=O)O
(2)InChI:InChI=1/C10H7F2NO2/c11-7-2-6-5(1-10(14)15)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15)
(3)InChIKey:VZWMUWNMZOYMFC-UHFFFAOYAC
(4)Std. InChI:InChI=1S/C10H7F2NO2/c11-7-2-6-5(1-10(14)15)4-13-9(6)3-8(7)12/h2-4,13H,1H2,(H,14,15)
(5)Std. InChIKey:VZWMUWNMZOYMFC-UHFFFAOYSA-N

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