Home Nitriles 1-(3-(TrifluoroMethyl)phenyl)cyclobutanecarbonitrile

1-(3-(TrifluoroMethyl)phenyl)cyclobutanecarbonitrile

CAS No.:
29786-43-4
Catalog Number:
AG00BIWV
Molecular Formula:
C12H10F3N
Molecular Weight:
225.2097
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Product Description
Catalog Number:
AG00BIWV
Chemical Name:
1-(3-(TrifluoroMethyl)phenyl)cyclobutanecarbonitrile
CAS Number:
29786-43-4
Molecular Formula:
C12H10F3N
Molecular Weight:
225.2097
MDL Number:
MFCD10692440
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile
InChI:
InChI=1S/C12H10F3N/c13-12(14,15)10-4-1-3-9(7-10)11(8-16)5-2-6-11/h1,3-4,7H,2,5-6H2
InChI Key:
JOXWRFGWGJDQAK-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.214g/mol
Monoisotopic Mass:
225.077g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties