Home Nitriles 2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile

2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile

CAS No.:
2107921-28-6
Catalog Number:
AG01EJSP
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
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Product Description
Catalog Number:
AG01EJSP
Chemical Name:
2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile
CAS Number:
2107921-28-6
Molecular Formula:
C8H6F3NO
Molecular Weight:
189.1345
MDL Number:
MFCD31665887
IUPAC Name:
2-[2-methyl-4-(trifluoromethyl)furan-3-yl]acetonitrile
InChI:
InChI=1S/C8H6F3NO/c1-5-6(2-3-12)7(4-13-5)8(9,10)11/h4H,2H2,1H3
InChI Key:
JWMISDNJZFDYHS-UHFFFAOYSA-N
SMILES:
N#CCc1c(C)occ1C(F)(F)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.137g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties