Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Benzoic acid,3-(1H-indol-5-yl)-

Related Products

Hot Products

Basic Information Post buying leads Suppliers
Name

Benzoic acid,3-(1H-indol-5-yl)-

EINECS N/A
CAS No. 886363-16-2 Density 1.32 g/cm3
PSA 53.09000 LogP 3.53310
Solubility N/A Melting Point N/A
Formula C15H11NO2 Boiling Point 523.9 °C at 760 mmHg
Molecular Weight 237.258 Flash Point 270.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 886363-16-2 (3-(5'-INDOLE)BENZOIC ACID) Hazard Symbols N/A
Synonyms

3-(1H-Indol-6-yl)benzoic acid;3-(1H-Indol-7-yl)benzoic acid;REF DUPL: 3-(5-Indole)benzoic acid;3-(1H-indol-3-yl)benzoic acid

 

Benzoic acid,3-(1H-indol-5-yl)- Specification

This chemical is called Benzoic acid, 3-(1H-indol-5-yl)-, and its systematic name is 3-(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 886363-16-2.

Other characteristics of the Benzoic acid, 3-(1H-indol-5-yl)- can be summarised as followings: (1)ACD/LogP: 3.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 23.05; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 143.7; (8)ACD/KOC (pH 7.4): 3.76; (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: 270.7 °C; (20)Enthalpy of Vaporization: 83.98 kJ/mol; (21)Boiling Point: 523.9 °C at 760 mmHg; (22)Vapour Pressure: 8.34E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)c3cc(c1cc2c(cc1)ncc2)ccc3
2.InChI: InChI=1/C15H11NO2/c17-15(18)13-3-1-2-10(9-13)11-4-5-14-12(8-11)6-7-16-14/h1-9,16H,(H,17,18)
3.InChIKey: VKHHKQSCGXEKEE-UHFFFAOYAL

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 886363-16-2