| CAS Number | 901187-90-4 |
| Catalog Number | AG00J2MU(AGN-PC-0WB632) |
| Chemical Name | 2-((2,4-Difluorophenyl)amino)acetic acid |
| IUPAC Name | 2-(2,4-difluoroanilino)acetic acid |
| InChI | InChI=1S/C8H7F2NO2/c9-5-1-2-7(6(10)3-5)11-4-8(12)13/h1-3,11H,4H2,(H,12,13) |
| InChI Key | STWYUDQLBORQDI-UHFFFAOYSA-N |
| MDL Number | MFCD06849848 |
| Molecular Formula | C8H7F2NO2 |
| Molecular Weight | 187.1435 |
| SMILES | C1(F)=C(C=CC(F)=C1)NCC(O)=O |
| Synonyms | 2-(2,4-difluorophenylamino)acetic acid,
901187-90-4,
2,4-Difluorophenylglycine,
N-(2,4-difluorophenyl)glycine,
SCHEMBL188080,
CTK7J5272,
ALBB-032066,
MFCD06849848,
ZINC20232047,
AKOS002392485,
2-((2,4-Difluorophenyl)amino)acetic acid,
Y-2652,
240409-02-3,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.146g/mol |
| Monoisotopic Mass | 187.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number