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847203-39-8 | Triphenylene, 2,3,6,7,10,11-hexakis[(10-bromodecyl)oxy]-
CAS No: 847203-39-8 Catalog No: AG004SDG MDL No:
Product Description
Catalog Number:
AG004SDG
Chemical Name:
Triphenylene, 2,3,6,7,10,11-hexakis[(10-bromodecyl)oxy]-
CAS Number:
847203-39-8
Molecular Formula:
C78H126Br6O6
Molecular Weight:
1639.2554
IUPAC Name:
2,3,6,7,10,11-hexakis(10-bromodecoxy)triphenylene
InChI:
InChI=1S/C78H126Br6O6/c79-49-37-25-13-1-7-19-31-43-55-85-73-61-67-68(62-74(73)86-56-44-32-20-8-2-14-26-38-50-80)70-64-76(88-58-46-34-22-10-4-16-28-40-52-82)78(90-60-48-36-24-12-6-18-30-42-54-84)66-72(70)71-65-77(89-59-47-35-23-11-5-17-29-41-53-83)75(63-69(67)71)87-57-45-33-21-9-3-15-27-39-51-81/h61-66H,1-60H2
InChI Key:
XJVYZDAYXOQCJU-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCOc1cc2c(cc1OCCCCCCCCCCBr)c1cc(OCCCCCCCCCCBr)c(cc1c1c2cc(OCCCCCCCCCCBr)c(c1)OCCCCCCCCCCBr)OCCCCCCCCCCBr
Properties
Complexity:
1240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1638.459g/mol
Formal Charge:
0
Heavy Atom Count:
90
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1639.284g/mol
Monoisotopic Mass:
1632.465g/mol
Rotatable Bond Count:
66
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
30.8
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