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125652-12-2 | Dibenzofuran, 1,3,8-trichloro-6-(1,1-dimethylethyl)-
CAS No: 125652-12-2 Catalog No: AG000O98 MDL No:
Product Description
Catalog Number:
AG000O98
Chemical Name:
Dibenzofuran, 1,3,8-trichloro-6-(1,1-dimethylethyl)-
CAS Number:
125652-12-2
Molecular Formula:
C16H13Cl3O
Molecular Weight:
327.6328
IUPAC Name:
6-tert-butyl-1,3,8-trichlorodibenzofuran
InChI:
InChI=1S/C16H13Cl3O/c1-16(2,3)11-5-8(17)4-10-14-12(19)6-9(18)7-13(14)20-15(10)11/h4-7H,1-3H3
InChI Key:
NEMXOMXYPDWFFE-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)oc1c2cc(cc1C(C)(C)C)Cl
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.003g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.629g/mol
Monoisotopic Mass:
326.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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