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202802-85-5 | Benzene, 1,3-bis[(10-bromodecyl)oxy]-
CAS No: 202802-85-5 Catalog No: AG0028GF MDL No:
Product Description
Catalog Number:
AG0028GF
Chemical Name:
Benzene, 1,3-bis[(10-bromodecyl)oxy]-
CAS Number:
202802-85-5
Molecular Formula:
C26H44Br2O2
Molecular Weight:
548.4344
IUPAC Name:
1,3-bis(10-bromodecoxy)benzene
InChI:
InChI=1S/C26H44Br2O2/c27-20-13-9-5-1-3-7-11-15-22-29-25-18-17-19-26(24-25)30-23-16-12-8-4-2-6-10-14-21-28/h17-19,24H,1-16,20-23H2
InChI Key:
ISTZRILCGXTSCZ-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCCCOc1cccc(c1)OCCCCCCCCCCBr
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
548.169g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.444g/mol
Monoisotopic Mass:
546.171g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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