Home Nitriles 2-[4-(trifluoromethyl)furan-2-yl]acetonitrile

2-[4-(trifluoromethyl)furan-2-yl]acetonitrile

CAS No.:
1936719-70-8
Catalog Number:
AG01DW4L
Molecular Formula:
C7H4F3NO
Molecular Weight:
175.1080
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Product Description
Catalog Number:
AG01DW4L
Chemical Name:
2-[4-(trifluoromethyl)furan-2-yl]acetonitrile
CAS Number:
1936719-70-8
Molecular Formula:
C7H4F3NO
Molecular Weight:
175.1080
MDL Number:
MFCD28553618
IUPAC Name:
2-[4-(trifluoromethyl)furan-2-yl]acetonitrile
InChI:
InChI=1S/C7H4F3NO/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1H2
InChI Key:
PRIIHSNDTCPETH-UHFFFAOYSA-N
SMILES:
N#CCc1occ(c1)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.024g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.11g/mol
Monoisotopic Mass:
175.024g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties