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125652-14-4 | Dibenzofuran, 1,3,8-trichloro-6-propyl-
CAS No: 125652-14-4 Catalog No: AG000OA3 MDL No:
Product Description
Catalog Number:
AG000OA3
Chemical Name:
Dibenzofuran, 1,3,8-trichloro-6-propyl-
CAS Number:
125652-14-4
Molecular Formula:
C15H11Cl3O
Molecular Weight:
313.6062
IUPAC Name:
1,3,8-trichloro-6-propyldibenzofuran
InChI:
InChI=1S/C15H11Cl3O/c1-2-3-8-4-9(16)5-11-14-12(18)6-10(17)7-13(14)19-15(8)11/h4-7H,2-3H2,1H3
InChI Key:
XBUCLYWPIIEAFS-UHFFFAOYSA-N
SMILES:
CCCc1cc(Cl)cc2c1oc1c2c(Cl)cc(c1)Cl
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.988g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.602g/mol
Monoisotopic Mass:
311.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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