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18113-22-9 | Phenol, 3-chloro-2,6-dimethoxy-
CAS No: 18113-22-9 Catalog No: AG0022P6 MDL No:
Product Description
Catalog Number:
AG0022P6
Chemical Name:
Phenol, 3-chloro-2,6-dimethoxy-
CAS Number:
18113-22-9
Molecular Formula:
C8H9ClO3
Molecular Weight:
188.6083
IUPAC Name:
3-chloro-2,6-dimethoxyphenol
InChI:
InChI=1S/C8H9ClO3/c1-11-6-4-3-5(9)8(12-2)7(6)10/h3-4,10H,1-2H3
InChI Key:
WYEMCZZCZXKDNC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1O)OC)Cl
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.024g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.607g/mol
Monoisotopic Mass:
188.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Bioaccumulation of phenol, guaiacol and some chlorophenols by selected freshwater species of leeches. | Bulletin of environmental contamination and toxicology 20120601 |
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