Basic information
- Name:
1H-Indole, 4-chloro-,conjugate acid (1:1)
- CAS No.:
136669-25-5
- Molecular Structure:
- Formula:
- C8H6Cl N.H
- Molecular Weight:
- 151.59
- Synonyms:
- 1H-Indole,4-chloro-, conjugate acid (9CI);
- EINECS:
- 246-747-8
- Density:
- 1.331 g/cm3
- Boiling Point:
- 293 °C at 760 mmHg
- Flash Point:
- 158.9 °C
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Specification
The 1H-Indole, 4-chloro-,conjugate acid (1:1), with CAS registry number 136669-25-5, has the systematic name of 4-chloro-1H-indole. Besides this, it is also called 1H-Indole, 4-chloro- and 4-Chloroindole. What's more, its EINECS is 246-747-8.
Physical properties of 1H-Indole, 4-chloro-,conjugate acid (1:1): (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.74; (5)ACD/BCF (pH 5.5): 70.88; (6)ACD/BCF (pH 7.4): 70.88; (7)ACD/KOC (pH 5.5): 734.86; (8)ACD/KOC (pH 7.4): 734.86; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å2; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 43.42 cm3; (15)Molar Volume: 113.8 cm3; (16)Polarizability: 17.21×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 158.9 °C; (20)Enthalpy of Vaporization: 51.13 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.00309 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2c1ccn2
(2)InChI: InChI=1/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
(3)InChIKey: SVLZRCRXNHITBY-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
(5)Std. InChIKey: SVLZRCRXNHITBY-UHFFFAOYSA-N
