1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl- supplier

Name
5-CHLORO-3-PHENYL-1H-INDOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 21139-31-1
Article Data3
CAS DataBase
Density 1.417 g/cm³
Solubility
Melting Point 230-232 °C
Formula C₁₅H₁₀ClNO₂
Boiling Point 500.7 °C at 760 mmHg
Molecular Weight 271.703
Flash Point 256.6 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Indole-2-carboxylicacid, 5-chloro-3-phenyl- (8CI);3-Phenyl-5-chloroindole-2-carboxylic acid;5-Chloro-3-phenyl-1H-indole-2-carboxylic acid;5-Chloro-3-phenylindole-2-carboxylic acid;PL 162;
PSA 53.09000
LogP 4.18650

1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl- Specification

The 1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-, with the CAS registry number 21139-31-1, is also known as ZINC00169718. This chemical's molecular formula is C₁₅H₁₀ClNO₂ and molecular weight is 271.6984. Its IUPAC name is called 5-chloro-3-phenyl-1H-indole-2-carboxylate.

Physical properties of 1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl-: (1)ACD/LogP: 4.20; (2)ACD/LogD (pH 5.5): 2.12; (3)ACD/LogD (pH 7.4): 1.1; (4)ACD/BCF (pH 5.5): 7.57; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 38.03; (7)ACD/KOC (pH 7.4): 3.67; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.71; (12)Molar Refractivity: 74.94 cm³; (13)Molar Volume: 191.6 cm³; (14)Surface Tension: 64 dyne/cm; (15)Density: 1.417 g/cm³; (16)Flash Point: 256.6 °C; (17)Enthalpy of Vaporization: 81.02 kJ/mol; (18)Boiling Point: 500.7 °C at 760 mmHg; (19)Vapour Pressure: 7.6E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)[O-]
(2)InChI: InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)13(14(17-12)15(18)19)9-4-2-1-3-5-9/h1-8,17H,(H,18,19)/p-1
(3)InChIKey: WQRNPWUZAVBEBC-UHFFFAOYSA-M

Product Name

5-CHLORO-3-PHENYL-1H-INDOLE-2-CARBOXYLIC ACID

1H-Indole-2-carboxylicacid, 5-chloro-3-phenyl- Specification

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