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CAS No.: | 14192-67-7 |
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Name: | 6-CHLORO-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H10ClNO |
Molecular Weight: | 219.671 |
Synonyms: | 6-Chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one;6-Chloro-2,3,4,9-tetrahydro-carbazol-1-one; |
Density: | 1.397 g/cm3 |
Boiling Point: | 417.7 °C at 760 mmHg |
Flash Point: | 206.4 °C |
PSA: | 32.86000 |
LogP: | 3.34030 |
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The 1H-Carbazol-1-one, 6-chloro-2,3,4,9-tetrahydro-, with the CAS registry number 14192-67-7, is also known as 6-Chloro-2,3,4,9-tetrahydro-carbazol-1-one. This chemical's molecular formula is C12H10ClNO and molecular weight is 219.67. What's more, its systematic name is 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one.
Physical properties of 1H-Carbazol-1-one, 6-chloro-2,3,4,9-tetrahydro- are: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.32; (4)ACD/LogD (pH 7.4): 3.32; (5)ACD/BCF (pH 5.5): 197.01; (6)ACD/BCF (pH 7.4): 197.01; (7)ACD/KOC (pH 5.5): 1527.57; (8)ACD/KOC (pH 7.4): 1527.57; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 22 Å2; (13)Index of Refraction: 1.694; (14)Molar Refractivity: 60.34 cm3; (15)Molar Volume: 157.1 cm3; (16)Polarizability: 23.92×10-24cm3; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.397 g/cm3; (19)Flash Point: 206.4 °C; (20)Enthalpy of Vaporization: 67.11 kJ/mol; (21)Boiling Point: 417.7 °C at 760 mmHg; (22)Vapour Pressure: 3.47E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc2c(cc1)nc3c2CCCC3=O
(2)InChI: InChI=1S/C12H10ClNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,14H,1-3H2
(3)InChIKey: PUQOGOYIOUCDPE-UHFFFAOYSA-N