Home Nitriles 2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile

2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile

CAS No.:
1155915-53-9
Catalog Number:
AG01AC0L
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
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Product Description
Catalog Number:
AG01AC0L
Chemical Name:
2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile
CAS Number:
1155915-53-9
Molecular Formula:
C9H6F3NO2
Molecular Weight:
217.1446
MDL Number:
MFCD12169351
IUPAC Name:
2-hydroxy-2-[2-(trifluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H6F3NO2/c10-9(11,12)15-8-4-2-1-3-6(8)7(14)5-13/h1-4,7,14H
InChI Key:
XHTRAWISZBOKQO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1OC(F)(F)F)O
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.035g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.147g/mol
Monoisotopic Mass:
217.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties