Home Halogens 2-(butylsulfanyl)-5-chlorobenzonitrile

2-(butylsulfanyl)-5-chlorobenzonitrile

CAS No.:
1249077-64-2
Catalog Number:
AG01A6DP
Molecular Formula:
C11H12ClNS
Molecular Weight:
225.7377
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Product Description
Catalog Number:
AG01A6DP
Chemical Name:
2-(butylsulfanyl)-5-chlorobenzonitrile
CAS Number:
1249077-64-2
Molecular Formula:
C11H12ClNS
Molecular Weight:
225.7377
MDL Number:
MFCD16769724
IUPAC Name:
2-butylsulfanyl-5-chlorobenzonitrile
InChI:
InChI=1S/C11H12ClNS/c1-2-3-6-14-11-5-4-10(12)7-9(11)8-13/h4-5,7H,2-3,6H2,1H3
InChI Key:
RSLUGBJEQIXOPC-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cc1C#N)Cl
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.734g/mol
Monoisotopic Mass:
225.038g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties