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138249-41-9 | Benzonitrile, 2,2'-thiobis[6-fluoro-
CAS No: 138249-41-9 Catalog No: AG0018EJ MDL No:
Product Description
Catalog Number:
AG0018EJ
Chemical Name:
Benzonitrile, 2,2'-thiobis[6-fluoro-
CAS Number:
138249-41-9
Molecular Formula:
C14H6F2N2S
Molecular Weight:
272.2726
IUPAC Name:
2-(2-cyano-3-fluorophenyl)sulfanyl-6-fluorobenzonitrile
InChI:
InChI=1S/C14H6F2N2S/c15-11-3-1-5-13(9(11)7-17)19-14-6-2-4-12(16)10(14)8-18/h1-6H
InChI Key:
BDCDCKDCXIIQOF-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1F)Sc1cccc(c1C#N)F
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.022g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.273g/mol
Monoisotopic Mass:
272.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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