| CAS Number | 1266732-06-2 |
| Catalog Number | AG01BTDI |
| Chemical Name | 2-(3-bromophenyl)-2-acetamidoacetic acid |
| IUPAC Name | 2-acetamido-2-(3-bromophenyl)acetic acid |
| InChI | InChI=1S/C10H10BrNO3/c1-6(13)12-9(10(14)15)7-3-2-4-8(11)5-7/h2-5,9H,1H3,(H,12,13)(H,14,15) |
| InChI Key | HHPQKEJLIYOJEP-UHFFFAOYSA-N |
| MDL Number | MFCD16340822 |
| Molecular Formula | C10H10BrNO3 |
| Molecular Weight | 272.0953 |
| SMILES | CC(NC(C1=CC(Br)=CC=C1)C(O)=O)=O |
| Synonyms | 2-(3-bromophenyl)-2-acetamidoacetic acid,
1266732-06-2,
AKOS013014438,
Z2753056670,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.098g/mol |
| Monoisotopic Mass | 270.984g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number