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190277-73-7 | Phenol, 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfonyl]-
CAS No: 190277-73-7 Catalog No: AG002EFZ MDL No:
Product Description
Catalog Number:
AG002EFZ
Chemical Name:
Phenol, 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfonyl]-
CAS Number:
190277-73-7
Molecular Formula:
C15H9Cl2N3O4S
Molecular Weight:
398.2207
IUPAC Name:
4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenyl]sulfonylphenol
InChI:
InChI=1S/C15H9Cl2N3O4S/c16-13-18-14(17)20-15(19-13)24-10-3-7-12(8-4-10)25(22,23)11-5-1-9(21)2-6-11/h1-8,21H
InChI Key:
BCHQIRZSZSNPCV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1nc(Cl)nc(n1)Cl
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.969g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
398.214g/mol
Monoisotopic Mass:
396.969g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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