Home Nitriles Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-

Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-

CAS No.:
168013-75-0
Catalog Number:
AG007VOF
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
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Product Description
Catalog Number:
AG007VOF
Chemical Name:
Benzeneacetonitrile, .alpha.-hydroxy-4-(trifluoromethyl)-
CAS Number:
168013-75-0
Molecular Formula:
C9H6F3NO
Molecular Weight:
201.1452
MDL Number:
MFCD12169340
IUPAC Name:
2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8,14H
InChI Key:
NYWXAQVYSYFVIG-UHFFFAOYSA-N
SMILES:
OC(c1ccc(cc1)C(F)(F)F)C#N
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.148g/mol
Monoisotopic Mass:
201.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties