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128915-84-4 | Benzene, 1,4-dibromo-2,5-dibutoxy-
CAS No: 128915-84-4 Catalog No: AG000YJL MDL No:
Product Description
Catalog Number:
AG000YJL
Chemical Name:
Benzene, 1,4-dibromo-2,5-dibutoxy-
CAS Number:
128915-84-4
Molecular Formula:
C14H20Br2O2
Molecular Weight:
380.1154
IUPAC Name:
1,4-dibromo-2,5-dibutoxybenzene
InChI:
InChI=1S/C14H20Br2O2/c1-3-5-7-17-13-9-12(16)14(10-11(13)15)18-8-6-4-2/h9-10H,3-8H2,1-2H3
InChI Key:
XCQQVOXIIWKRLJ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Br)c(cc1Br)OCCCC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.981g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.12g/mol
Monoisotopic Mass:
377.983g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| 1,4-Dibromo-2,5-dibut-oxy-benzene. | Acta crystallographica. Section E, Structure reports online 20120901 |
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