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141100-51-8 | 1,3-Benzodioxole, 5,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methyl]-
CAS No: 141100-51-8 Catalog No: AG001FWT MDL No:
Product Description
Catalog Number:
AG001FWT
Chemical Name:
1,3-Benzodioxole, 5,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methyl]-
CAS Number:
141100-51-8
Molecular Formula:
C23H16Br2O6
Molecular Weight:
548.1775
IUPAC Name:
5,6-bis[(6-bromo-1,3-benzodioxol-5-yl)methyl]-1,3-benzodioxole
InChI:
InChI=1S/C23H16Br2O6/c24-16-7-22-20(28-10-30-22)5-14(16)1-12-3-18-19(27-9-26-18)4-13(12)2-15-6-21-23(8-17(15)25)31-11-29-21/h3-8H,1-2,9-11H2
InChI Key:
SQJPFFKCPLRYBI-UHFFFAOYSA-N
SMILES:
Brc1cc2OCOc2cc1Cc1cc2OCOc2cc1Cc1cc2OCOc2cc1Br
Properties
Complexity:
587
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.929g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.183g/mol
Monoisotopic Mass:
545.931g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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