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180002-83-9

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Basic Information
CAS No.: 180002-83-9
Name: 1-(2,3-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-3-[2-(4-MORPHOLINYL)ETHYL]-1H-INDOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 180002-83-9 (1-(2,3-DICHLOROBENZOYL)-5-METHOXY-2-METHYL-3-[2-(4-MORPHOLINYL)ETHYL]-1H-INDOLE)
Formula: C23H24Cl2N2O3
Molecular Weight: 447.361
Synonyms: 1H-Indole,1-(2,3-dichlorobenzoyl)-5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]- (9CI);GW 405833;L 768242;
Density: 1.326 g/cm3
Melting Point: 47-49℃
Boiling Point: 544.626 °C at 760 mmHg
Flash Point: 283.18 °C
Hazard Symbols: ToxicT
Risk Codes: 25
Safety: 45
Transport Information: UN 2811
PSA: 43.70000
LogP: 4.76620
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Specification

This chemical is called Methanone,(2,3-dichlorophenyl)[5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]-1H-indol-1-yl]-, and its systematic name is 1-[(2,3-Dichlorophenyl)carbonyl]-5-methoxy-2-methyl-3-(2-morpholin-4-ylethyl)-1H-indole. With the molecular formula of C23H24Cl2N2O3, its molecular weight is 447.35. The CAS registry number of the chemical is 180002-83-9. 

Other characteristics of Methanone,(2,3-dichlorophenyl)[5-methoxy-2-methyl-3-[2-(4-morpholinyl)ethyl]-1H-indol-1-yl]- can be summarised as followings: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 94; (7)ACD/KOC (pH 5.5): 19; (8)ACD/KOC (pH 7.4): 738; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.7 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 118.723 cm3; (15)Molar Volume: 337.283 cm3; (16)Polarizability: 47.066×10-24cm3; (17)Surface Tension: 45.943 dyne/cm; (18)Density: 1.326 g/cm3; (19)Flash Point: 283.18 °C; (20)Enthalpy of Vaporization: 82.328 kJ/mol; (21)Boiling Point: 544.626 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is toxic if swallowed. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible). 

You can still convert the following datas into molecular structure:
1.SMILES: Clc1cccc(c1Cl)C(=O)n2c4ccc(OC)cc4c(c2C)CCN3CCOCC3
2.InChI: InChI=1/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
3.InChIKey: FSFZRNZSZYDVLI-UHFFFAOYAZ
4.Std. InChI: InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3 CopyCopied
5.Std. InChIKey: FSFZRNZSZYDVLI-UHFFFAOYSA-N