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820222-88-6 | 2-Pyridinamine, 6-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)methyl]-
CAS No: 820222-88-6 Catalog No: AG004YFN MDL No:
Product Description
Catalog Number:
AG004YFN
Chemical Name:
2-Pyridinamine, 6-[[(4-chlorophenyl)sulfonyl](2,5-difluorophenyl)methyl]-
CAS Number:
820222-88-6
Molecular Formula:
C18H13ClF2N2O2S
Molecular Weight:
394.8228
IUPAC Name:
6-[(4-chlorophenyl)sulfonyl-(2,5-difluorophenyl)methyl]pyridin-2-amine
InChI:
InChI=1S/C18H13ClF2N2O2S/c19-11-4-7-13(8-5-11)26(24,25)18(16-2-1-3-17(22)23-16)14-10-12(20)6-9-15(14)21/h1-10,18H,(H2,22,23)
InChI Key:
VRVDRGHVYQVVGG-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)C(c1cc(F)ccc1F)c1cccc(n1)N
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.035g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.821g/mol
Monoisotopic Mass:
394.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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