Molecular Formula: 602.5
Formula Weight: C29H36BrN3O6
Inchl Key: LDXQFZZGVTWFCF-UHFFFAOYSA-N
Inchl: InChI=1S/C29H36BrN3O6/c1-14-8-9-29(16(3)11-15(2)27(39-29)17(4)26(34)19-7-6-10-32-19)38-20(14)13-22-33-25-21(37-22)12-18(30)24(31-5)23(25)28(35)36/h6-7,10,12,14-17,20,27,31-32H,8-9,11,13H2,1-5H3,(H,35,36)

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:	96ºC
CAS:	76455-82-8
MF:	C29H36BrN3O6
Flash_Point:	405.8ºC
Product_Name:	6-bromo-5-(methylamino)-2-[[3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid
Density:	N/A
FW:	602.51700
Bolling_Point:	747.4ºC at 760mmHg

Melting_Point:	96ºC
MF:	C29H36BrN3O6
Flash_Point:	405.8ºC
LogP:	6.36530
Bolling_Point:	747.4ºC at 760mmHg
Exact_Mass:	601.17900
FW:	602.51700
PSA:	126.68000
Computational_Chemistry:	['1. XlogP :66 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :8 ', '4. Rotatable Bond Count :7 ', '5. Isotope Atom Count :72 ', '6. TPSA 127 ', '7. Heavy Atom Count :39 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :910 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :7 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance 。 ', '2 . Density（g/mL,25/4℃） ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure） ', '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 。']