Home Nitriles Benzonitrile, 2-fluoro-6-[(4-methylphenyl)thio]-

Benzonitrile, 2-fluoro-6-[(4-methylphenyl)thio]-

CAS No.:
175204-11-2
Catalog Number:
AG0020LP
Molecular Formula:
C14H10FNS
Molecular Weight:
243.2993
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Product Description
Catalog Number:
AG0020LP
Chemical Name:
Benzonitrile, 2-fluoro-6-[(4-methylphenyl)thio]-
CAS Number:
175204-11-2
Molecular Formula:
C14H10FNS
Molecular Weight:
243.2993
MDL Number:
MFCD00068207
IUPAC Name:
2-fluoro-6-(4-methylphenyl)sulfanylbenzonitrile
InChI:
InChI=1S/C14H10FNS/c1-10-5-7-11(8-6-10)17-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChI Key:
MDOVOQVAOKWRLK-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1F)Sc1ccc(cc1)C
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.052g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.299g/mol
Monoisotopic Mass:
243.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties