2-(4-nitrophenyl)-1,3-oxazole

Catalog No: FT-0746995

CAS No: 62882-08-0

Chemical Name: 2-(4-nitrophenyl)-1,3-oxazole
Molecular Formula: C9H6N2O3
Molecular Weight: 190.16
InChI Key: XHBVYYMFLQGIJX-UHFFFAOYSA-N
InChI: InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-10-5-6-14-9/h1-6H

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	346.23ºC at 760 mmHg
CAS:	62882-08-0
MF:	C9H6N2O3
Density:	1.334g/cm3
Melting_Point:	N/A
Product_Name:	2-(4-Nitrophenyl)oxazole
Flash_Point:	163.194ºC
FW:	190.15600

MF:	C9H6N2O3
Density:	1.334g/cm3
Computational_Chemistry:	['1. XlogP :18 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 718 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :209 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）163-167 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Exact_Mass:	190.03800
Flash_Point:	163.194ºC
PSA:	71.85000
Molecular_Structure:	['1 疏水参数计算参考值（XlogP）28 ', '2 氢键供体数量1 ', '3 氢键受体数量1 ', '4 可旋转化学键数量0 ', '5 拓扑分子极性表面积（TPSA）287 ', '6 重原子数量10 ', '7 表面电荷0 ', '8 复杂度129 ', '9 同位素原子数量0 ', '10 确定原子立构中心数量0 ', '11 不确定原子立构中心数量0 ', '12 确定化学键立构中心数量0 ', '13 不确定化学键立构中心数量0 ', '14 共价键单元数量1']
LogP:	2.77300
Bolling_Point:	346.23ºC at 760 mmHg
FW:	190.15600
Refractive_Index:	1.585