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850655-31-1 | Phenol, 2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)-
CAS No: 850655-31-1 Catalog No: AG004S7N MDL No:
Product Description
Catalog Number:
AG004S7N
Chemical Name:
Phenol, 2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)-
CAS Number:
850655-31-1
Molecular Formula:
C18H8Cl6O3
Molecular Weight:
484.9723
IUPAC Name:
2,6-dichloro-3,5-bis(2,4-dichlorophenoxy)phenol
InChI:
InChI=1S/C18H8Cl6O3/c19-8-1-3-12(10(21)5-8)26-14-7-15(17(24)18(25)16(14)23)27-13-4-2-9(20)6-11(13)22/h1-7,25H
InChI Key:
WVDKKFQPVUPWQK-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1cc(Oc2ccc(cc2Cl)Cl)c(c(c1Cl)O)Cl
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.858g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
484.959g/mol
Monoisotopic Mass:
481.86g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
Literature
| Title | Journal |
|---|---|
| Effects of cyanobacterium Fischerella ambigua isolates and cell free culture media on zebrafish (Danio rerio) embryo development. | Chemosphere 20061001 |
| Ambigol C and 2,4-dichlorobenzoic acid, natural products produced by the terrestrial cyanobacterium Fischerella ambigua. | Journal of natural products 20050301 |
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