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69699-77-0 | 3,4,5-Trichloro-2-(2,4-dichlorophenoxy)aniline
CAS No: 69699-77-0 Catalog No: AG005IVT MDL No:
Product Description
Catalog Number:
AG005IVT
Chemical Name:
3,4,5-Trichloro-2-(2,4-dichlorophenoxy)aniline
CAS Number:
69699-77-0
Molecular Formula:
C12H6Cl5NO
Molecular Weight:
357.4471
IUPAC Name:
3,4,5-trichloro-2-(2,4-dichlorophenoxy)aniline
InChI:
InChI=1S/C12H6Cl5NO/c13-5-1-2-9(6(14)3-5)19-12-8(18)4-7(15)10(16)11(12)17/h1-4H,18H2
InChI Key:
OWHDDYMHUJXVRI-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1c(N)cc(c(c1Cl)Cl)Cl
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.886g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.436g/mol
Monoisotopic Mass:
354.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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