CAS No.160313-69-9,Ethyl 4-bromo-3-methylbenzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	160313-69-9
Name:	Ethyl 4-bromo-3-methylbenzoate
Article Data:	10

Formula:	C₁₀H₁₁BrO₂
Molecular Weight:	243.1
Synonyms:	4-bromo-3-methyl-benzoic acid acetate;
Density:	1.379 g/cm³
Boiling Point:	302.573 °C at 760 mmHg
Flash Point:	136.792 °C
Appearance:	white crystalline power
PSA:	26.30000
LogP:	2.93420

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Specification

The Ethyl 4-bromo-3-methylbenzoate, with CAS registry number 160313-69-9, belongs to the following product categories: (1)Acids & Esters; (2)Bromine Compounds. It has the systematic name of ethyl 4-bromo-3-methylbenzoate. And the chemical formula of this chemical is C₁₀H₁₁BrO₂.

Physical properties of Ethyl 4-bromo-3-methylbenzoate: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 580; (6)ACD/BCF (pH 7.4): 580; (7)ACD/KOC (pH 5.5): 3310; (8)ACD/KOC (pH 7.4): 3310; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 55.174 cm³; (15)Molar Volume: 176.293 cm³; (16)Polarizability: 21.873×10^-24cm³; (17)Surface Tension: 38.82 dyne/cm; (18)Density: 1.379 g/cm³; (19)Flash Point: 136.792 °C; (20)Enthalpy of Vaporization: 54.28 kJ/mol; (21)Boiling Point: 302.573 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(ccc1Br)C(=O)OCC
(2)InChI: InChI=1/C10H11BrO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
(3)InChIKey: GIGDAWLJINYIFV-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H11BrO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3
(5)Std. InChIKey: GIGDAWLJINYIFV-UHFFFAOYSA-N