Home Aldehydes 2-Furancarboxaldehyde, 5-(trifluoromethyl)-

2-Furancarboxaldehyde, 5-(trifluoromethyl)-

CAS No.:
17515-80-9
Catalog Number:
AG0020D8
Molecular Formula:
C6H3F3O2
Molecular Weight:
164.0820
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Product Description
Catalog Number:
AG0020D8
Chemical Name:
2-Furancarboxaldehyde, 5-(trifluoromethyl)-
CAS Number:
17515-80-9
Molecular Formula:
C6H3F3O2
Molecular Weight:
164.0820
MDL Number:
MFCD00525585
IUPAC Name:
5-(trifluoromethyl)furan-2-carbaldehyde
InChI:
InChI=1S/C6H3F3O2/c7-6(8,9)5-2-1-4(3-10)11-5/h1-3H
InChI Key:
KLVCIHFXPHKSPD-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)C(F)(F)F
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.083g/mol
Monoisotopic Mass:
164.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties