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144429-63-0 | Phenol, 2,4-dichloro-3-(2-chloro-3-hydroxy-5-methylphenoxy)-5-methyl-
CAS No: 144429-63-0 Catalog No: AG001JIF MDL No:
Product Description
Catalog Number:
AG001JIF
Chemical Name:
Phenol, 2,4-dichloro-3-(2-chloro-3-hydroxy-5-methylphenoxy)-5-methyl-
CAS Number:
144429-63-0
Molecular Formula:
C14H11Cl3O3
Molecular Weight:
333.5943
IUPAC Name:
2,4-dichloro-3-(2-chloro-3-hydroxy-5-methylphenoxy)-5-methylphenol
InChI:
InChI=1S/C14H11Cl3O3/c1-6-3-8(18)12(16)10(4-6)20-14-11(15)7(2)5-9(19)13(14)17/h3-5,18-19H,1-2H3
InChI Key:
QPVDWOREWKDUHK-UHFFFAOYSA-N
SMILES:
Cc1cc(O)c(c(c1)Oc1c(Cl)c(C)cc(c1Cl)O)Cl
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.977g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.589g/mol
Monoisotopic Mass:
331.977g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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