Home Nitriles 4-(propan-2-yloxy)-2-(trifluoromethyl)benzonitrile

4-(propan-2-yloxy)-2-(trifluoromethyl)benzonitrile

CAS No.:
1094436-68-6
Catalog Number:
AG01A9H9
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
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Product Description
Catalog Number:
AG01A9H9
Chemical Name:
4-(propan-2-yloxy)-2-(trifluoromethyl)benzonitrile
CAS Number:
1094436-68-6
Molecular Formula:
C11H10F3NO
Molecular Weight:
229.1984
MDL Number:
MFCD11178463
IUPAC Name:
4-propan-2-yloxy-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C11H10F3NO/c1-7(2)16-9-4-3-8(6-15)10(5-9)11(12,13)14/h3-5,7H,1-2H3
InChI Key:
ILTGRWJQZVGCQV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)OC(C)C
Properties
Complexity:
279  
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:
3.3  
Properties