Home Nitriles 1-[3-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile

1-[3-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile

CAS No.:
1260653-10-8
Catalog Number:
AG01C5GM
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
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Product Description
Catalog Number:
AG01C5GM
Chemical Name:
1-[3-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile
CAS Number:
1260653-10-8
Molecular Formula:
C11H8F3NO
Molecular Weight:
227.1825
MDL Number:
MFCD11036649
IUPAC Name:
1-[3-(trifluoromethoxy)phenyl]cyclopropane-1-carbonitrile
InChI:
InChI=1S/C11H8F3NO/c12-11(13,14)16-9-3-1-2-8(6-9)10(7-15)4-5-10/h1-3,6H,4-5H2
InChI Key:
BENIAMBYUGNOCH-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.056g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.186g/mol
Monoisotopic Mass:
227.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties