| CAS Number | 926227-44-3 |
| Catalog Number | AG019VD5 |
| Chemical Name | 3-[(2-bromo-5-fluorophenyl)formamido]propanoic acid |
| IUPAC Name | 3-[(2-bromo-5-fluorobenzoyl)amino]propanoic acid |
| InChI | InChI=1S/C10H9BrFNO3/c11-8-2-1-6(12)5-7(8)10(16)13-4-3-9(14)15/h1-2,5H,3-4H2,(H,13,16)(H,14,15) |
| InChI Key | JPZYDECMIMFTHS-UHFFFAOYSA-N |
| MDL Number | MFCD09044087 |
| Molecular Formula | C10H9BrFNO3 |
| Molecular Weight | 290.0858 |
| SMILES | OC(CCNC(C1=C(Br)C=CC(F)=C1)=O)=O |
| Synonyms | 3-[(2-bromo-5-fluorophenyl)formamido]propanoic acid,
926227-44-3,
AC1Q75MJ,
CTK7J4272,
ZINC21957099,
AKOS000128333,
MCULE-8186880608,
NE31318,
EN300-44931,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.088g/mol |
| Monoisotopic Mass | 288.975g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number