Molecular Formula: 223.07
Formula Weight: C6H11BrN2O2
Inchl Key: CMCCHHWTTBEZNM-UHFFFAOYSA-N
Inchl: InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	152 °C
CAS:	496-67-3
MF:	C6H11BrN2O2
Flash_Point:	N/A
Product_Name:	Bromisoval
Density:	1.504g/cm3
FW:	223.06800
Bolling_Point:	N/A

Refractive_Index:	1.514
LogP:	1.69200
PSA:	72.19000
Molecular_Structure:	['1 . Molar refractive index 4468 ', '2 . Molar volume （m3/mol）1482 ', '3 . Parachor （902K）3848 ', '4 . Surface tension 454 ', '5 . Polarizability （10 -24cm 3）1771']
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :2 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :5 ', '6. TPSA 722 ', '7. Heavy Atom Count :11 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :170 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	152 °C
MF:	C6H11BrN2O2
Exact_Mass:	222.00000
FW:	223.06800
Density:	1.504g/cm3
More_Info:	['1 . Appearance White 针状or 叶状结晶。几乎无味。能升华。 ', '2 . Density（g/mL,25/4℃）156 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）154℃（160℃） ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 易Soluble in 热Water Ethyl ether and 碱性溶液，也Soluble in Ethanol 丙酮and 苯等有机溶剂，微Soluble in 冷Water ，Insoluble in 石油醚。']