Home Halogens Benzonitrile, 2-[(4-chlorophenyl)thio]-6-fluoro-

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

CAS No.:
175204-12-3
Catalog Number:
AG0020LO
Molecular Formula:
C13H7ClFNS
Molecular Weight:
263.7178
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Product Description
Catalog Number:
AG0020LO
Chemical Name:
Benzonitrile, 2-[(4-chlorophenyl)thio]-6-fluoro-
CAS Number:
175204-12-3
Molecular Formula:
C13H7ClFNS
Molecular Weight:
263.7178
MDL Number:
MFCD00068208
IUPAC Name:
2-(4-chlorophenyl)sulfanyl-6-fluorobenzonitrile
InChI:
InChI=1S/C13H7ClFNS/c14-9-4-6-10(7-5-9)17-13-3-1-2-12(15)11(13)8-16/h1-7H
InChI Key:
KFJFXRCXNMCNBN-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1F)Sc1ccc(cc1)Cl
Properties
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.997g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.714g/mol
Monoisotopic Mass:
262.997g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties