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102127-41-3 | Phenol, 2,6-dichloro-4-nonyl-
CAS No: 102127-41-3 Catalog No: AG0006PE MDL No:
Product Description
Catalog Number:
AG0006PE
Chemical Name:
Phenol, 2,6-dichloro-4-nonyl-
CAS Number:
102127-41-3
Molecular Formula:
C15H22Cl2O
Molecular Weight:
289.2406
IUPAC Name:
2,6-dichloro-4-nonylphenol
InChI:
InChI=1S/C15H22Cl2O/c1-2-3-4-5-6-7-8-9-12-10-13(16)15(18)14(17)11-12/h10-11,18H,2-9H2,1H3
InChI Key:
YBIUWKDQETUHCE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1cc(Cl)c(c(c1)Cl)O
NSC Number:
74667
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.24g/mol
Monoisotopic Mass:
288.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| Competitive interactions of chlorinated phenol compounds with 3,3',5-triiodothyronine binding to transthyretin: detection of possible thyroid-disrupting chemicals in environmental waste water. | Toxicology and applied pharmacology 20030301 |
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