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835601-99-5 | Benzenamine, 4-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-
CAS No: 835601-99-5 Catalog No: AG004UP2 MDL No:
Product Description
Catalog Number:
AG004UP2
Chemical Name:
Benzenamine, 4-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]-
CAS Number:
835601-99-5
Molecular Formula:
C18H12Cl3NO2
Molecular Weight:
380.6524
IUPAC Name:
4-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]aniline
InChI:
InChI=1S/C18H12Cl3NO2/c19-11-1-7-16(15(21)9-11)24-17-8-2-12(20)10-18(17)23-14-5-3-13(22)4-6-14/h1-10H,22H2
InChI Key:
UAFRFQSCHVHNOP-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Oc1ccc(cc1)N)Oc1ccc(cc1Cl)Cl
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.993g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.649g/mol
Monoisotopic Mass:
378.993g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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