Home Aminos 2-{[2-formyl-4-(trifluoromethyl)phenyl](methyl)amino}acetic acid

2-{[2-formyl-4-(trifluoromethyl)phenyl](methyl)amino}acetic acid

CAS No.:
953062-31-2
Catalog Number:
AG019SN2
Molecular Formula:
C11H10F3NO3
Molecular Weight:
261.1972
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Product Description
Catalog Number:
AG019SN2
Chemical Name:
2-{[2-formyl-4-(trifluoromethyl)phenyl](methyl)amino}acetic acid
CAS Number:
953062-31-2
Molecular Formula:
C11H10F3NO3
Molecular Weight:
261.1972
MDL Number:
MFCD21602457
IUPAC Name:
2-[2-formyl-N-methyl-4-(trifluoromethyl)anilino]acetic acid
InChI:
InChI=1S/C11H10F3NO3/c1-15(5-10(17)18)9-3-2-8(11(12,13)14)4-7(9)6-16/h2-4,6H,5H2,1H3,(H,17,18)
InChI Key:
CYOITVYIQFZMNI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1N(CC(=O)O)C)C(F)(F)F
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.061g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.2g/mol
Monoisotopic Mass:
261.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties