| CAS Number | 39773-49-4 |
| Catalog Number | AG019LGS |
| Chemical Name | 3-[(Aminocarbonyl)amino]-3-(4-bromophenyl)propanoic acid |
| IUPAC Name | 3-(4-bromophenyl)-3-(carbamoylamino)propanoic acid |
| InChI | InChI=1S/C10H11BrN2O3/c11-7-3-1-6(2-4-7)8(5-9(14)15)13-10(12)16/h1-4,8H,5H2,(H,14,15)(H3,12,13,16) |
| InChI Key | DSFQMVYFEVKJTG-UHFFFAOYSA-N |
| MDL Number | MFCD00450115 |
| Molecular Formula | C10H11BrN2O3 |
| Molecular Weight | 287.1099 |
| SMILES | NC(NC(C1=CC=C(Br)C=C1)CC(O)=O)=O |
| Synonyms | 3-(4-bromophenyl)-3-(carbamoylamino)propanoic acid,
39773-49-4,
3-[(aminocarbonyl)amino]-3-(4-bromophenyl)propanoic acid,
EN300-31212,
AC1Q4ZUF,
CTK7J1648,
AKOS009169481,
MCULE-7859242351,
NE55819,
Z324553118,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.113g/mol |
| Monoisotopic Mass | 285.995g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number