Home Nitriles Butanenitrile, 2-hydroxy-2-(trifluoromethyl)-

Butanenitrile, 2-hydroxy-2-(trifluoromethyl)-

CAS No.:
203302-91-4
Catalog Number:
AG0028SC
Molecular Formula:
C5H6F3NO
Molecular Weight:
153.1024
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Product Description
Catalog Number:
AG0028SC
Chemical Name:
Butanenitrile, 2-hydroxy-2-(trifluoromethyl)-
CAS Number:
203302-91-4
Molecular Formula:
C5H6F3NO
Molecular Weight:
153.1024
MDL Number:
MFCD00236720
IUPAC Name:
2-hydroxy-2-(trifluoromethyl)butanenitrile
InChI:
InChI=1S/C5H6F3NO/c1-2-4(10,3-9)5(6,7)8/h10H,2H2,1H3
InChI Key:
MFDZRGPBIWWYFA-UHFFFAOYSA-N
SMILES:
CCC(C(F)(F)F)(C#N)O
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.04g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
153.104g/mol
Monoisotopic Mass:
153.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties