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161880-51-9 | Dibenzofuran, 1,2,3,4,7,8,9-heptabromo-
CAS No: 161880-51-9 Catalog No: AG001VY4 MDL No:
Product Description
Catalog Number:
AG001VY4
Chemical Name:
Dibenzofuran, 1,2,3,4,7,8,9-heptabromo-
CAS Number:
161880-51-9
Molecular Formula:
C12HBr7O
Molecular Weight:
720.4637
IUPAC Name:
1,2,3,4,7,8,9-heptabromodibenzofuran
InChI:
InChI=1S/C12HBr7O/c13-2-1-3-4(7(15)6(2)14)5-8(16)9(17)10(18)11(19)12(5)20-3/h1H
InChI Key:
RFUPGXOBNPMYIM-UHFFFAOYSA-N
SMILES:
Brc1cc2oc3c(c2c(c1Br)Br)c(Br)c(c(c3Br)Br)Br
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
719.425g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
720.467g/mol
Monoisotopic Mass:
713.431g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
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