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883566-56-1

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Basic Information
CAS No.: 883566-56-1
Name: Methyl 4-(5'-amino-6'-hydroxylbenzoxazol-2-yl)benzate
Molecular Structure:
Molecular Structure of 883566-56-1 (Methyl 4-(5'-amino-6'-hydroxylbenzoxazol-2-yl)benzate)
Formula: C15H12 N2 O4
Molecular Weight: 284.27
Synonyms: 2-(4-Methoxycarbonylphenyl)-5-amino-6-hydroxybenzoxazole;
Density: 1.397
Boiling Point: 463.5 ºC at 760 mmHg
Flash Point: 234.1 ºC
Appearance: golden yellow crystalline powder
PSA: 98.58000
LogP: 3.15040
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Specification

The Methyl 4-(5'-amino-6'-hydroxylbenzoxazol-2'-yl)benzoate, with the cas registry number 883566-56-1, is a kind of golden yellow crystalline powder. It is a new type monomer and it is usually used in PBO synthesis.

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.64; (4)ACD/LogD (pH 7.4): 2.59; (5)#H bond acceptors: 6; (6)#H bond donors: 3; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 98.58 ; (9)Index of Refraction: 1.68; (10)Molar Refractivity: 76.96 cm3; (11)Molar Volume: 203.4 cm3; (12)Polarizability: 30.51 ×10-24 cm3; (13)Surface Tension: 65.2 dyne/cm; (14)Density: 1.397 g/cm3; (15)Flash Point: 234.1 °C; (16)Enthalpy of Vaporization: 75.25 kJ/mol; (17)Boiling Point: 463.5 °C at 760 mmHg; (18)Vapour Pressure: 3.26E-09 mmHg at 25°C.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:COC(=O)c1ccc(cc1)c2nc3cc(c(cc3o2)O)N
(2)InChI:InChI=1/C15H12N2O4/c1-20-15(19)9-4-2-8(3-5-9)14-17-11-6-10(16)12(18)7-13(11)21-14/h2 7,18H,16H2,1H3
(3)InChIKey:HYMVXXQIUSYBLL-UHFFFAOYAU