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83929-75-3 | 1,2-Propanediol,3,3'-[(2,3,5,6-tetrabromo-1,4-phenylene)bis(oxy)]bis-
CAS No: 83929-75-3 Catalog No: AG004RDM MDL No:
Product Description
Catalog Number:
AG004RDM
Chemical Name:
1,2-Propanediol,3,3'-[(2,3,5,6-tetrabromo-1,4-phenylene)bis(oxy)]bis-
CAS Number:
83929-75-3
Molecular Formula:
C12H14Br4O6
Molecular Weight:
573.8520
IUPAC Name:
3-[2,3,5,6-tetrabromo-4-(2,3-dihydroxypropoxy)phenoxy]propane-1,2-diol
InChI:
InChI=1S/C12H14Br4O6/c13-7-9(15)12(22-4-6(20)2-18)10(16)8(14)11(7)21-3-5(19)1-17/h5-6,17-20H,1-4H2
InChI Key:
ROSDSUUTOMDJRI-UHFFFAOYSA-N
SMILES:
OCC(COc1c(Br)c(Br)c(c(c1Br)Br)OCC(CO)O)O
EC Number:
281-369-7
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
573.748g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
573.854g/mol
Monoisotopic Mass:
569.752g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
99.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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