Home Nitriles 4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile

4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile

CAS No.:
929975-32-6
Catalog Number:
AG019KG6
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
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Product Description
Catalog Number:
AG019KG6
Chemical Name:
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile
CAS Number:
929975-32-6
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD09040419
IUPAC Name:
4,4,4-trifluoro-3-(furan-2-yl)-3-hydroxybutanenitrile
InChI:
InChI=1S/C8H6F3NO2/c9-8(10,11)7(13,3-4-12)6-2-1-5-14-6/h1-2,5,13H,3H2
InChI Key:
CJGDOTCKAOBEIY-UHFFFAOYSA-N
SMILES:
N#CCC(C(F)(F)F)(c1ccco1)O
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties