1H-Indole-2-carboxylicacid, 5-chloro-, methyl ester supplier

Name
5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 87802-11-7
Article Data22
CAS DataBase
Density 1.381 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClNO₂
Boiling Point 365.5 °C at 760 mmHg
Molecular Weight 209.632
Flash Point 174.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Chloro-1H-indole-2-carboxylicacid methyl ester;Methyl 5-chloro-1H-indole-2-carboxylate;Methyl 5-chloroindole-2-carboxylate;
PSA 42.09000
LogP 2.60790

1H-Indole-2-carboxylicacid, 5-chloro-, methyl ester 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

Product Name

5-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER

1H-Indole-2-carboxylicacid, 5-chloro-, methyl ester Specification

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