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Home Nitriles 4,4,4-trifluoro-3-hydroxybutanenitrile

4,4,4-trifluoro-3-hydroxybutanenitrile

CAS No.:
57165-85-2
Catalog Number:
AG019XZS
Molecular Formula:
C4H4F3NO
Molecular Weight:
139.0759
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Product Description
Catalog Number:
AG019XZS
Chemical Name:
4,4,4-trifluoro-3-hydroxybutanenitrile
CAS Number:
57165-85-2
Molecular Formula:
C4H4F3NO
Molecular Weight:
139.0759
MDL Number:
MFCD11099999
IUPAC Name:
4,4,4-trifluoro-3-hydroxybutanenitrile
InChI:
InChI=1S/C4H4F3NO/c5-4(6,7)3(9)1-2-8/h3,9H,1H2
InChI Key:
NCKPCYRKCHNXIW-UHFFFAOYSA-N
SMILES:
OC(C(F)(F)F)CC#N
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.024g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
139.077g/mol
Monoisotopic Mass:
139.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Substituent and solvent effects on the beta-heterolysis reaction of beta-hydroxy arylethyl radicals. The Journal of organic chemistry 20071221
Solvent effects on the reactivity of fluorenyl nitrenium ion with DNA-like probes. Biophysical chemistry 20060201
Properties