Home Carboxys 5-[(trifluoroacetamido)methyl]furan-2-carboxylic acid

5-[(trifluoroacetamido)methyl]furan-2-carboxylic acid

CAS No.:
1538710-07-4
Catalog Number:
AG01B5J2
Molecular Formula:
C8H6F3NO4
Molecular Weight:
237.1327
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Product Description
Catalog Number:
AG01B5J2
Chemical Name:
5-[(trifluoroacetamido)methyl]furan-2-carboxylic acid
CAS Number:
1538710-07-4
Molecular Formula:
C8H6F3NO4
Molecular Weight:
237.1327
MDL Number:
MFCD23810400
IUPAC Name:
5-[[(2,2,2-trifluoroacetyl)amino]methyl]furan-2-carboxylic acid
InChI:
InChI=1S/C8H6F3NO4/c9-8(10,11)7(15)12-3-4-1-2-5(16-4)6(13)14/h1-2H,3H2,(H,12,15)(H,13,14)
InChI Key:
YEDRJAMIEMSKQL-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)NCc1ccc(o1)C(=O)O
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.025g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
237.134g/mol
Monoisotopic Mass:
237.025g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties