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201138-91-2 | Dibenzofuran, 4,6-dibromo-
CAS No: 201138-91-2 Catalog No: AG002D7I MDL No:MFCD00185686
Product Description
Catalog Number:
AG002D7I
Chemical Name:
Dibenzofuran, 4,6-dibromo-
CAS Number:
201138-91-2
Molecular Formula:
C12H6Br2O
Molecular Weight:
325.9834
MDL Number:
MFCD00185686
IUPAC Name:
4,6-dibromodibenzofuran
InChI:
InChI=1S/C12H6Br2O/c13-9-5-1-3-7-8-4-2-6-10(14)12(8)15-11(7)9/h1-6H
InChI Key:
XSJLDNSNUICSQC-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1oc1c2cccc1Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.876g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.987g/mol
Monoisotopic Mass:
323.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Formation of bromochlorodibenzo-p-dioxins and dibenzofurans from the high-temperature oxidation of a mixture of 2-chlorophenol and 2-bromophenol. | Environmental science & technology 20060501 |
| Mechanisms of dioxin formation from the high-temperature oxidation of 2-bromophenol. | Environmental science & technology 20050401 |
| Mechanisms of dioxin formation from the high-temperature pyrolysis of 2-bromophenol. | Environmental science & technology 20031215 |
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