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877866-88-1 | Pyridine, 2-[(1E)-2-(2,4-difluorophenyl)ethenyl]-5-[(R)-phenylsulfinyl]-
CAS No: 877866-88-1 Catalog No: AG004KY8 MDL No:
Product Description
Catalog Number:
AG004KY8
Chemical Name:
Pyridine, 2-[(1E)-2-(2,4-difluorophenyl)ethenyl]-5-[(R)-phenylsulfinyl]-
CAS Number:
877866-88-1
Molecular Formula:
C19H13F2NOS
Molecular Weight:
341.3744
IUPAC Name:
2-[2-(2,4-difluorophenyl)ethenyl]-5-[(R)-phenylsulfinyl]pyridine
InChI:
InChI=1S/C19H13F2NOS/c20-15-8-6-14(19(21)12-15)7-9-16-10-11-18(13-22-16)24(23)17-4-2-1-3-5-17/h1-13H/t24-/m1/s1
InChI Key:
DLASHKPJUVPKQY-XMMPIXPASA-N
SMILES:
Fc1ccc(c(c1)F)/C=C/c1ccc(cn1)[S@](=O)c1ccccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
341.069g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.376g/mol
Monoisotopic Mass:
341.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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