| CAS Number | 355017-52-6 |
| Catalog Number | AG019T2G(AGN-PC-0WOFIU) |
| Chemical Name | methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate |
| IUPAC Name | methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate |
| InChI | InChI=1S/C12H13BrN2O2/c1-17-12(16)10(14)4-7-6-15-11-3-2-8(13)5-9(7)11/h2-3,5-6,10,15H,4,14H2,1H3 |
| InChI Key | WLAQXNVMSYAGLF-UHFFFAOYSA-N |
| MDL Number | MFCD09756721 |
| Molecular Formula | C12H13BrN2O2 |
| Molecular Weight | 297.1478 |
| SMILES | COC(C(CC1C2=C(C=CC(=C2)Br)NC=1)N)=O |
| Synonyms | methyl 2-amino-3-(5-bromo-1H-indol-3-yl)propanoate,
355017-52-6,
SCHEMBL1197489,
AKOS026740642,
MCULE-2956534108,
NE30268,
Z1278642335,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.152g/mol |
| Monoisotopic Mass | 296.016g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number