Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(5-Fluoro-2-methyl-1H-indol-3-yl)acetic acid |
EINECS | N/A |
CAS No. | 71987-67-2 | Density | 1.383 g/cm3 |
PSA | 53.09000 | LogP | 2.24250 |
Solubility | N/A | Melting Point |
179-182 °C(Solv: acetonitrile (75-05-8)) |
Formula | C11H10FNO2 | Boiling Point | 421.1 °C at 760 mmHg |
Molecular Weight | 207.20 | Flash Point | 208.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(5-Fluoro-2-methyl-1H-indol-3-yl)-acetic acid; |
Article Data | 11 |
The 1H-Indole-3-aceticacid, 5-fluoro-2-methyl-, with the CAS registry number 71987-67-2, is also known as (5-Fluoro-2-methyl-1H-indol-3-yl)-acetic acid. This chemical's molecular formula is C11H10FNO2 and molecular weight is 207.20. What's more, its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)acetic acid. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.
Physical properties of 1H-Indole-3-aceticacid, 5-fluoro-2-methyl- are: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.88; (4)ACD/LogD (pH 7.4): -0.92; (5)ACD/BCF (pH 5.5): 1.52; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 54.46 cm3; (15)Molar Volume: 149.7 cm3; (16)Polarizability: 21.59×10-24cm3; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.383 g/cm3; (19)Flash Point: 208.5 °C; (20)Enthalpy of Vaporization: 71.17 kJ/mol; (21)Boiling Point: 421.1 °C at 760 mmHg; (22)Vapour Pressure: 7.62E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc2c(cc1)nc(c2CC(=O)O)C
(2)Std. InChI: InChI=1S/C11H10FNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
(3)Std. InChIKey: VJZAMNBVIWOUJR-UHFFFAOYSA-N