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157683-74-4 | Benzene, 1,3,5-trichloro-2-(3,4-dichlorophenoxy)-
CAS No: 157683-74-4 Catalog No: AG001PME MDL No:
Product Description
Catalog Number:
AG001PME
Chemical Name:
Benzene, 1,3,5-trichloro-2-(3,4-dichlorophenoxy)-
CAS Number:
157683-74-4
Molecular Formula:
C12H5Cl5O
Molecular Weight:
342.4325
IUPAC Name:
1,3,5-trichloro-2-(3,4-dichlorophenoxy)benzene
InChI:
InChI=1S/C12H5Cl5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H
InChI Key:
POOXVKSDWCXIBU-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)Oc1ccc(c(c1)Cl)Cl
UNII:
3200C5XC83
Properties
Complexity:
265
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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