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83704-52-3 | 1,2,3,6,9-PENTACHLORODIBENZOFURAN
CAS No: 83704-52-3 Catalog No: AG004T7Y MDL No:
Product Description
Catalog Number:
AG004T7Y
Chemical Name:
1,2,3,6,9-PENTACHLORODIBENZOFURAN
CAS Number:
83704-52-3
Molecular Formula:
C12H3Cl5O
Molecular Weight:
340.4166
IUPAC Name:
1,2,3,6,9-pentachlorodibenzofuran
InChI:
InChI=1S/C12H3Cl5O/c13-4-1-2-5(14)12-8(4)9-7(18-12)3-6(15)10(16)11(9)17/h1-3H
InChI Key:
IPSFQAKXDJVQOX-UHFFFAOYSA-N
SMILES:
Clc1cc2oc3c(c2c(c1Cl)Cl)c(Cl)ccc3Cl
UNII:
62J7GF25RR
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.86g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.405g/mol
Monoisotopic Mass:
337.863g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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