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141794-52-7 | Phenol, 2,6-bis(2,6-dichloro-4-hydroxyphenoxy)-4-methoxy-
CAS No: 141794-52-7 Catalog No: AG001H6J MDL No:
Product Description
Catalog Number:
AG001H6J
Chemical Name:
Phenol, 2,6-bis(2,6-dichloro-4-hydroxyphenoxy)-4-methoxy-
CAS Number:
141794-52-7
Molecular Formula:
C19H12Cl4O6
Molecular Weight:
478.1070
IUPAC Name:
3,5-dichloro-4-[3-(2,6-dichloro-4-hydroxyphenoxy)-2-hydroxy-5-methoxyphenoxy]phenol
InChI:
InChI=1S/C19H12Cl4O6/c1-27-10-6-15(28-18-11(20)2-8(24)3-12(18)21)17(26)16(7-10)29-19-13(22)4-9(25)5-14(19)23/h2-7,24-26H,1H3
InChI Key:
IKJQBBYSVBYVAL-UHFFFAOYSA-N
SMILES:
COc1cc(Oc2c(Cl)cc(cc2Cl)O)c(c(c1)Oc1c(Cl)cc(cc1Cl)O)O
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.936g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
478.099g/mol
Monoisotopic Mass:
475.939g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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