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| CAS No.: | 87802-11-7 |
|---|---|
| Name: | 5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER |
| Article Data: | 22 |
| Molecular Structure: | |
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| Formula: | C10H8ClNO2 |
| Molecular Weight: | 209.632 |
| Synonyms: | 5-Chloro-1H-indole-2-carboxylicacid methyl ester;Methyl 5-chloro-1H-indole-2-carboxylate;Methyl 5-chloroindole-2-carboxylate; |
| Density: | 1.381 g/cm3 |
| Boiling Point: | 365.5 °C at 760 mmHg |
| Flash Point: | 174.8 °C |
| PSA: | 42.09000 |
| LogP: | 2.60790 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called 1H-indole-2-carboxylic acid, 5-chloro-, methyl ester, and it can also be named as Methyl 5-chloro-1H-indole-2-carboxylate. With the molecular formula of C10H8ClNO2, its molecular weight is 209.63. The CAS registry number of this chemical is 87802-11-7.
Other characteristics of the 1H-indole-2-carboxylic acid, 5-chloro-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)ACD/BCF (pH 5.5): 208.9; (6)ACD/BCF (pH 7.4): 208.9; (7)ACD/KOC (pH 5.5): 1593; (8)ACD/KOC (pH 7.4): 1593; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å2; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 55.19 cm3; (15)Molar Volume: 151.7 cm3; (16)Polarizability: 21.88×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 174.8 °C; (20)Enthalpy of Vaporization: 61.18 kJ/mol; (21)Boiling Point: 365.5 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc1cc2c(cc1)nc(c2)C(=O)OC
2.InChI: InChI=1/C10H8ClNO2/c1-14-10(13)9-5-6-4-7(11)2-3-8(6)12-9/h2-5,12H,1H3
3.InChIKey: WGAOEHZSJWVLBY-UHFFFAOYAT