1H-Indole-2-carboxylicacid, 4-bromo-, methyl ester supplier

Name
4-Bromoindole-2-carboxylic acid methyl ester
EINECS
CAS No. 167479-13-2
Article Data9
CAS DataBase
Density 1.629 g/cm³
Solubility
Melting Point
Formula C₁₀H₈BrNO₂
Boiling Point 386.2 °C at 760 mmHg
Molecular Weight 254.083
Flash Point 187.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl4-bromo-1H-indole-2-carboxylate;methyl 4-bromo-1H-indole-2-carboxylate;methyl 4-bromo-1H-indole-2-carboxylate;
PSA 42.09000
LogP 2.71700

1H-Indole-2-carboxylicacid, 4-bromo-, methyl ester Specification

The 1H-Indole-2-carboxylicacid, 4-bromo-, methyl ester, with the CAS registry number 167479-13-2, has the systematic name of methyl 4-bromo-1H-indole-2-carboxylate. It is also called 4-Bromoindole-2-carboxylic acid methyl ester. And the molecular formula of this chemical is C₁₀H₈BrNO₂.

The physical properties of 1H-Indole-2-carboxylicacid, 4-bromo-, methyl ester are as following: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.34; (4)ACD/LogD (pH 7.4): 3.34; (5)ACD/BCF (pH 5.5): 204.07; (6)ACD/BCF (pH 7.4): 204.07; (7)ACD/KOC (pH 5.5): 1566.58; (8)ACD/KOC (pH 7.4): 1566.58; (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: 1.666; (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: 187.3 °C; (20)Enthalpy of Vaporization: 63.51 kJ/mol; (21)Boiling Point: 386.2 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cccc2c1cc(C(=O)OC)n2
(2)InChI: InChI=1/C10H8BrNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3
(3)InChIKey: DTPOJMDJBBGYFK-UHFFFAOYAQ

Product Name

4-Bromoindole-2-carboxylic acid methyl ester

1H-Indole-2-carboxylicacid, 4-bromo-, methyl ester Specification

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