Benzoic acid,2-(1H-indol-5-yl)- supplier

Name
2-(5'-INDOLE)BENZOIC ACID
EINECS 200-258-5
CAS No. 886363-17-3
Density 1.32 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁NO₂
Boiling Point 471.5 °C at 760 mmHg
Molecular Weight 237.26
Flash Point 238.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(1H-Indol-5-yl)benzoic acid;2-(5'-Indole)benzoic acid;
PSA 53.09000
LogP 3.53310

Benzoic acid,2-(1H-indol-5-yl)- Specification

This chemical is called Benzoic acid, 2-(1H-indol-5-yl)-, and its systematic name is 2-(1H-indol-5-yl)benzoic acid. With the molecular formula of C₁₅H₁₁NO₂, its molecular weight is 237.26. The CAS registry number of this chemical is 886363-17-3.

Other characteristics of the Benzoic acid, 2-(1H-indol-5-yl)- can be summarised as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): -0.03; (5)ACD/BCF (pH 5.5): 3.08; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.18; (8)ACD/KOC (pH 7.4): 1.02; (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: 1.707; (14)Molar Refractivity: 70.05 cm³; (15)Molar Volume: 179.6 cm³; (16)Polarizability: 27.77×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.32 g/cm³; (19)Flash Point: 238.9 °C; (20)Enthalpy of Vaporization: 77.35 kJ/mol; (21)Boiling Point: 471.5 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c3ccccc3c1cc2c(cc1)ncc2
2.InChI: InChI=1/C15H11NO2/c17-15(18)13-4-2-1-3-12(13)10-5-6-14-11(9-10)7-8-16-14/h1-9,16H,(H,17,18)
3.InChIKey: PKGXRKSYWVXMKT-UHFFFAOYAJ

Product Name

2-(5'-INDOLE)BENZOIC ACID

Benzoic acid,2-(1H-indol-5-yl)- Specification

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