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102096-98-0 | 3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo-
CAS No: 102096-98-0 Catalog No: AG0006M9 MDL No:
Product Description
Catalog Number:
AG0006M9
Chemical Name:
3,6,9,12,15,18,21,24,27,30-Decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene, 36-bromo-
CAS Number:
102096-98-0
Molecular Formula:
C26H43BrO10
Molecular Weight:
595.5176
IUPAC Name:
36-bromo-3,6,9,12,15,18,21,24,27,30-decaoxabicyclo[30.3.1]hexatriaconta-1(36),32,34-triene
InChI:
InChI=1S/C26H43BrO10/c27-26-24-2-1-3-25(26)23-37-21-19-35-17-15-33-13-11-31-9-7-29-5-4-28-6-8-30-10-12-32-14-16-34-18-20-36-22-24/h1-3H,4-23H2
InChI Key:
PVIHNMIRAYVQPU-UHFFFAOYSA-N
SMILES:
Brc1c2COCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccc2
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
594.204g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
595.524g/mol
Monoisotopic Mass:
594.204g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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