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23399-88-4 | Benzene, 1,3,5-trichloro-2-ethoxy-
CAS No: 23399-88-4 Catalog No: AG002N2U MDL No:
Product Description
Catalog Number:
AG002N2U
Chemical Name:
Benzene, 1,3,5-trichloro-2-ethoxy-
CAS Number:
23399-88-4
Molecular Formula:
C8H7Cl3O
Molecular Weight:
225.4996
IUPAC Name:
1,3,5-trichloro-2-ethoxybenzene
InChI:
InChI=1S/C8H7Cl3O/c1-2-12-8-6(10)3-5(9)4-7(8)11/h3-4H,2H2,1H3
InChI Key:
GYDFVBYBCDOBFE-UHFFFAOYSA-N
SMILES:
CCOc1c(Cl)cc(cc1Cl)Cl
EC Number:
245-634-0
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.956g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.493g/mol
Monoisotopic Mass:
223.956g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Accurate determination of 2,4,6-trichloroanisole in wines at low parts per trillion by solid-phase microextraction followed by GC-ECD. | Journal of agricultural and food chemistry 20030604 |
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