| CAS Number | 923691-92-3 |
| Catalog Number | AG019W81 |
| Chemical Name | 2-[(3,5-Difluorophenyl)formamido]acetic acid |
| IUPAC Name | 2-[(3,5-difluorobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C9H7F2NO3/c10-6-1-5(2-7(11)3-6)9(15)12-4-8(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChI Key | CRKGNCMDWYCYOJ-UHFFFAOYSA-N |
| MDL Number | MFCD08445021 |
| Molecular Formula | C9H7F2NO3 |
| Molecular Weight | 215.1536 |
| SMILES | OC(CNC(C1=CC(F)=CC(F)=C1)=O)=O |
| Synonyms | 2-[(3,5-difluorophenyl)formamido]acetic acid,
923691-92-3,
[(3,5-Difluorobenzoyl)amino]acetic acid,
AC1Q75XX,
CTK7F6053,
ZINC19390490,
2-(3,5-difluorobenzamido)acetic acid,
AKOS000158959,
MCULE-6267723068,
NE20876,
EN300-50999,
Z85887064,
Glycine, N-(3,5-difluorobenzoyl),
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.156g/mol |
| Monoisotopic Mass | 215.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number