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125652-16-6 | Dibenzofuran, 1,3,8-trichloro-6-ethyl-
CAS No: 125652-16-6 Catalog No: AG000OA1 MDL No:
Product Description
Catalog Number:
AG000OA1
Chemical Name:
Dibenzofuran, 1,3,8-trichloro-6-ethyl-
CAS Number:
125652-16-6
Molecular Formula:
C14H9Cl3O
Molecular Weight:
299.5797
IUPAC Name:
1,3,8-trichloro-6-ethyldibenzofuran
InChI:
InChI=1S/C14H9Cl3O/c1-2-7-3-8(15)4-10-13-11(17)5-9(16)6-12(13)18-14(7)10/h3-6H,2H2,1H3
InChI Key:
LYNXFANHQJOIDJ-UHFFFAOYSA-N
SMILES:
CCc1cc(Cl)cc2c1oc1c2c(Cl)cc(c1)Cl
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.972g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.575g/mol
Monoisotopic Mass:
297.972g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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