2-[2-[2-[2-[bis(carboxymethyl)amino]-5-bromophenoxy]ethoxy]-4-bromo-N-(carboxymethyl)anilino]acetic acid

Catalog No: FT-0718906

CAS No: 73630-11-2

Chemical Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-bromophenoxy]ethoxy]-4-bromo-N-(carboxymethyl)anilino]acetic acid
Molecular Formula: C22H22Br2N2O10
Molecular Weight: 634.2
InChI Key: KCTRRYZOCJDOTC-UHFFFAOYSA-N
InChI: InChI=1S/C22H22Br2N2O10/c23-13-1-3-15(25(9-19(27)28)10-20(29)30)17(7-13)35-5-6-36-18-8-14(24)2-4-16(18)26(11-21(31)32)12-22(33)34/h1-4,7-8H,5-6,9-12H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)

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:	N/A
CAS:	73630-11-2
MF:	C22H22Br2N2O10
Density:	N/A
Melting_Point:	190-195ºC (dec.)
Product_Name:	5,5-Dibromo-Bapta
Flash_Point:	N/A
FW:	634.22500

PSA:	174.14000
Molecular_Structure:	['1 . Molar refractive index 13261 ', '2 . Molar volume （m3/mol）3512 ', '3 . Parachor （902K）10470 ', '4 . Surface tension 790 ', '5 . Polarizability （10 -24cm 3）5257']
MF:	C22H22Br2N2O10
LogP:	2.62060
Computational_Chemistry:	['1. XlogP :36 ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :12 ', '4. Rotatable Bond Count :15 ', '5. Isotope Atom Count :N/A ', '6. TPSA 174 ', '7. Heavy Atom Count :36 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :679 ', '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 粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）172-178 ', '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 Unknow 。']
Exact_Mass:	631.96400
FW:	634.22500
Melting_Point:	190-195ºC (dec.)