6-Bromo-4-Indolecarboxylic Acid Methyl Ester supplier

Name
6-BROMO-4-INDOLECARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 107650-22-6
Article Data7
CAS DataBase
Density 1.629 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO₂
Boiling Point 382.6 °C at 760 mmHg
Molecular Weight 254.083
Flash Point 185.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl6-bromoindole-4-carboxylate;
PSA 42.09000
LogP 2.71700

6-Bromo-4-Indolecarboxylic Acid Methyl Ester Specification

This chemical is called 6-Bromo-4-Indolecarboxylic Acid Methyl Ester, and its systematic name is methyl 6-bromo-1H-indole-4-carboxylate. With the molecular formula of C₁₀H₈BrNO₂, its molecular weight is 254.08. The CAS registry number of this chemical is 107650-22-6. Additionally, its product category is Pharmacetical.

Other characteristics of the 6-Bromo-4-Indolecarboxylic Acid Methyl Ester can be summarised as followings: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 79.27; (6)ACD/BCF (pH 7.4): 79.27; (7)ACD/KOC (pH 5.5): 796.15; (8)ACD/KOC (pH 7.4): 796.15; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.09 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 57.99 cm³; (15)Molar Volume: 155.9 cm³; (16)Polarizability: 22.98×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.629 g/cm³; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 63.1 kJ/mol; (21)Boiling Point: 382.6 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: Product Categories:
1.SMILES: COC(=O)c1cc(Br)cc2nccc12
2.InChI: InChI=1/C10H8BrNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
3.InChIKey: KPFSQBKJYHWFME-UHFFFAOYAN

Product Name

6-BROMO-4-INDOLECARBOXYLIC ACID METHYL ESTER

6-Bromo-4-Indolecarboxylic Acid Methyl Ester Specification

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