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159553-69-2 | Benzene, 1,2,4-trichloro-3-(3,4-dichlorophenoxy)-
CAS No: 159553-69-2 Catalog No: AG001R5T MDL No:
Product Description
Catalog Number:
AG001R5T
Chemical Name:
Benzene, 1,2,4-trichloro-3-(3,4-dichlorophenoxy)-
CAS Number:
159553-69-2
Molecular Formula:
C12H5Cl5O
Molecular Weight:
342.4325
IUPAC Name:
1,2,4-trichloro-3-(3,4-dichlorophenoxy)benzene
InChI:
InChI=1S/C12H5Cl5O/c13-7-2-1-6(5-10(7)16)18-12-9(15)4-3-8(14)11(12)17/h1-5H
InChI Key:
KASGFDPQAMDPAZ-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1Cl)Oc1c(Cl)ccc(c1Cl)Cl
UNII:
QJQ4596JGM
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.875g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.421g/mol
Monoisotopic Mass:
339.878g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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