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1683-35-8 | Cinnoline, 4-[[(3,4-dichlorophenyl)methyl]thio]-6-fluoro-
CAS No: 1683-35-8 Catalog No: AG001Y07 MDL No:
Product Description
Catalog Number:
AG001Y07
Chemical Name:
Cinnoline, 4-[[(3,4-dichlorophenyl)methyl]thio]-6-fluoro-
CAS Number:
1683-35-8
Molecular Formula:
C15H9Cl2FN2S
Molecular Weight:
339.2148
IUPAC Name:
4-[(3,4-dichlorophenyl)methylsulfanyl]-6-fluorocinnoline
InChI:
InChI=1S/C15H9Cl2FN2S/c16-12-3-1-9(5-13(12)17)8-21-15-7-19-20-14-4-2-10(18)6-11(14)15/h1-7H,8H2
InChI Key:
PAYOZERDCYIDJW-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(cnn2)SCc1ccc(c(c1)Cl)Cl
NSC Number:
66092
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.985g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.209g/mol
Monoisotopic Mass:
337.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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