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157789-12-3 | Benzene, 1,2-dibromo-4,5-bis[(2-ethylhexyl)oxy]-
CAS No: 157789-12-3 Catalog No: AG001PP2 MDL No:
Product Description
Catalog Number:
AG001PP2
Chemical Name:
Benzene, 1,2-dibromo-4,5-bis[(2-ethylhexyl)oxy]-
CAS Number:
157789-12-3
Molecular Formula:
C22H36Br2O2
Molecular Weight:
492.3280
IUPAC Name:
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
InChI:
InChI=1S/C22H36Br2O2/c1-5-9-11-17(7-3)15-25-21-13-19(23)20(24)14-22(21)26-16-18(8-4)12-10-6-2/h13-14,17-18H,5-12,15-16H2,1-4H3
InChI Key:
CXUXBXXIAIQJGV-UHFFFAOYSA-N
SMILES:
CCCCC(COc1cc(Br)c(cc1OCC(CCCC)CC)Br)CC
Properties
Complexity:
308
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:
14
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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