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156028-40-9 | Benzene, 1,4-dibromo-2,5-bis(octyloxy)-
CAS No: 156028-40-9 Catalog No: AG001OH8 MDL No:
Product Description
Catalog Number:
AG001OH8
Chemical Name:
Benzene, 1,4-dibromo-2,5-bis(octyloxy)-
CAS Number:
156028-40-9
Molecular Formula:
C22H36Br2O2
Molecular Weight:
492.3280
IUPAC Name:
1,4-dibromo-2,5-dioctoxybenzene
InChI:
InChI=1S/C22H36Br2O2/c1-3-5-7-9-11-13-15-25-21-17-20(24)22(18-19(21)23)26-16-14-12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChI Key:
MJMCDNUIQSZJKE-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(Br)c(cc1Br)OCCCCCCCC
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.106g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
492.336g/mol
Monoisotopic Mass:
490.108g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.1
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