Home Nitriles 2-methyl-2-[4-(trifluoromethoxy)phenyl]propanenitrile

2-methyl-2-[4-(trifluoromethoxy)phenyl]propanenitrile

CAS No.:
1260798-94-4
Catalog Number:
AG01B1RS
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
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Product Description
Catalog Number:
AG01B1RS
Chemical Name:
2-methyl-2-[4-(trifluoromethoxy)phenyl]propanenitrile
CAS Number:
1260798-94-4
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
MDL Number:
MFCD11036602
IUPAC Name:
2-methyl-2-[4-(trifluoromethoxy)phenyl]propanenitrile
InChI:
InChI=1S/C11H10F3NO/c1-10(2,7-15)8-3-5-9(6-4-8)16-11(12,13)14/h3-6H,1-2H3
InChI Key:
MGQPHMXIRXQZKK-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)OC(F)(F)F)(C)C
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.071g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.202g/mol
Monoisotopic Mass:
229.071g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties