CAS No.255876-52-9,5-(2,4-Dichlorophenyl)-1,3-oxazole-4-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	255876-52-9
Name:	5-(2,4-Dichlorophenyl)-1,3-oxazole-4-carboxylic acid

Formula:	C₁₀H₅Cl₂NO₃
Molecular Weight:	258.0576
Synonyms:	5-(2,4-Dichlorophenyl)oxazole-4-carboxylicacid;
Density:	1.543 g/cm³
Boiling Point:	388.5 °C at 760 mmHg
Flash Point:	188.8 °C
Hazard Symbols:	Xi
Risk Codes:	22
PSA:	63.33000
LogP:	3.34660

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Specification

The 4-Oxazolecarboxylicacid, 5-(2,4-dichlorophenyl)-, with the CAS registry number 255876-52-9, has the systematic name 5-(2,4-dichlorophenyl)-1,3-oxazole-4-carboxylic acid. Its molecular formula is C₁₀H₅Cl₂NO₃and its molecular weight is 258.0576. Additionally, its product categories are Blocks; Carboxes; Oxazoles.

Other characteristics of the 4-Oxazolecarboxylicacid, 5-(2,4-dichlorophenyl)- can be summarised as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.59; (4)ACD/LogD (pH 7.4): -1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.33 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 57.95 cm³; (15)Molar Volume: 167.1 cm³; (16)Polarizability: 22.97×10^-24cm³; (17)Surface Tension: 58.6 dyne/cm; (18)Density: 1.543 g/cm³; (19)Flash Point: 188.8 °C; (20)Enthalpy of Vaporization: 67.26 kJ/mol; (21)Boiling Point: 388.5 °C at 760 mmHg; (22)Vapour Pressure: 9.87E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2ncoc2c1c(Cl)cc(Cl)cc1
2.InChI: InChI=1/C10H5Cl2NO3/c11-5-1-2-6(7(12)3-5)9-8(10(14)15)13-4-16-9/h1-4H,(H,14,15)
3.InChIKey: GFJOSDQVNCMKER-UHFFFAOYAV