CAS No.133950-71-7,5-Bromo-3-indolyldecanoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133950-71-7
Name:	5-Bromo-3-indolyldecanoate

Formula:	C₁₈H₂₄BrNO₂
Molecular Weight:	366.298
Synonyms:	Blue-caprate;5-BroMo-1H-indol-3-yl decanoate
EINECS:	1533716-785-6
Density:	1.272g/cm³
Boiling Point:	475.3 °C at 760 mmHg
Flash Point:	241.3 °C
PSA:	42.09000
LogP:	5.97650

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Specification

The Decanoic acid,5-bromo-1H-indol-3-yl ester, with CAS registry number 133950-71-7, has the systematic name of 5-bromo-1H-indol-3-yl decanoate. Besides this, it is also called 5-Bromo-3-indolyldecanoate. Its molecular weight is 366.2927. And the chemical formula of this chemical is C₁₈H₂₄BrNO₂.

Physical properties of Decanoic acid,5-bromo-1H-indol-3-yl ester: (1)ACD/LogP: 7.12; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.12; (4)ACD/LogD (pH 7.4): 7.12; (5)ACD/BCF (pH 5.5): 151184.66; (6)ACD/BCF (pH 7.4): 151184.66; (7)ACD/KOC (pH 5.5): 177447.03; (8)ACD/KOC (pH 7.4): 177447.03; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 42.09 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 94.62 cm³; (15)Molar Volume: 287.7 cm³; (16)Polarizability: 37.51×10^-24cm³; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 1.272 g/cm³; (19)Flash Point: 241.3 °C; (20)Enthalpy of Vaporization: 73.88 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 3.35E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCC(=O)Oc2cnc1ccc(Br)cc12
(2)InChI: InChI=1/C18H24BrNO2/c1-2-3-4-5-6-7-8-9-18(21)22-17-13-20-16-11-10-14(19)12-15(16)17/h10-13,20H,2-9H2,1H3
(3)InChIKey: MSQDUIOYSURQKS-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C18H24BrNO2/c1-2-3-4-5-6-7-8-9-18(21)22-17-13-20-16-11-10-14(19)12-15(16)17/h10-13,20H,2-9H2,1H3
(5)Std. InChIKey: MSQDUIOYSURQKS-UHFFFAOYSA-N