-
Name
METHYL 2-(3-{(E)-3-[2-(7-CHLORO-2-QUINOLYL)VINYL]PHENYL}-3-OXOPROPYL)BENZOATE
- EINECS
- CAS No. 149968-11-6
- Article Data15
- CAS DataBase
- Density 1.272 g/cm3
- Solubility
- Melting Point
- Formula C28H22ClNO3
- Boiling Point 659.723 °C at 760 mmHg
- Molecular Weight 455.941
- Flash Point 352.788 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms Benzoicacid, 2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methylester, (E)-;Methyl(E)-2-[3-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate;
- PSA 56.26000
- LogP 6.66070
Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate Specification
The Methyl (E)-2-[3-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]benzoate with the cas number 149968-11-6, is also called benzoic acid, 2-[3-[3-[(E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-oxopropyl]-, methyl ester.This chemical with the molecular formula C28H22ClNO3, is a kind of organics.
The properties of the chemical are: (1)ACD/LogP: 5.32; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 56.26Å2; (7)Index of Refraction: 1.679; (8)Molar Refractivity: 135.397 cm3; (9)Molar Volume: 358.563 cm3; (10)Polarizability: 53.676×10-24cm3; (11)Surface Tension: 55.295 dyne/cm; (12)Enthalpy of Vaporization: 97.091 kJ/mol; (13)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccccc1CCC(=O)c2cccc(c2)\C=C\c3nc4cc(Cl)ccc4cc3
(2)InChI: InChI=1/C28H22ClNO3/c1-33-28(32)25-8-3-2-6-20(25)12-16-27(31)22-7-4-5-19(17-22)9-14-24-15-11-21-10-13-23(29)18-26(21)30-24/h2-11,13-15,17-18H,12,16H2,1H3/b14-9+
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