Home Nitriles 3-(Trifluoromethyl)benzofuran-5-carbonitrile

3-(Trifluoromethyl)benzofuran-5-carbonitrile

CAS No.:
1823954-84-2
Catalog Number:
AG00I1C7
Molecular Formula:
C10H4F3NO
Molecular Weight:
211.1401
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Product Description
Catalog Number:
AG00I1C7
Chemical Name:
3-(Trifluoromethyl)benzofuran-5-carbonitrile
CAS Number:
1823954-84-2
Molecular Formula:
C10H4F3NO
Molecular Weight:
211.1401
MDL Number:
MFCD28014551
IUPAC Name:
3-(trifluoromethyl)-1-benzofuran-5-carbonitrile
InChI:
InChI=1S/C10H4F3NO/c11-10(12,13)8-5-15-9-2-1-6(4-14)3-7(8)9/h1-3,5H
InChI Key:
QIFFUZBTMJMKQL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)c(co2)C(F)(F)F
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.143g/mol
Monoisotopic Mass:
211.024g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties