| CAS Number | 195254-57-0 |
| Catalog Number | AG00I3DG(AGN-PC-0WR33N) |
| Chemical Name | 2-(N-benzyl-2,2,2-trifluoroacetamido)acetic acid |
| IUPAC Name | 2-[benzyl-(2,2,2-trifluoroacetyl)amino]acetic acid |
| InChI | InChI=1S/C11H10F3NO3/c12-11(13,14)10(18)15(7-9(16)17)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,16,17) |
| InChI Key | NJOPPTWVXZFEAL-UHFFFAOYSA-N |
| MDL Number | MFCD00029786 |
| Molecular Formula | C11H10F3NO3 |
| Molecular Weight | 261.1972 |
| SMILES | OC(CN(C(C(F)(F)F)=O)CC1=CC=CC=C1)=O |
| Synonyms | 2-(N-benzyl-2,2,2-trifluoroacetamido)acetic acid,
195254-57-0,
N-benzyl-N-(trifluoroacetyl)glycine,
Enamine_002231,
AC1LX9O7,
AC1Q75RJ,
HMS1400F09,
ZINC2143634,
MFCD00029786,
AKOS024325222,
MCULE-8860589928,
CS-0039147,
2-[benzyl-(2,2,2-trifluoroacetyl)amino]acetic acid,
CID1797327,
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| Complexity | 311 |
| 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 | 6 |
| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number