| CAS Number | 1018815-57-0 |
| Catalog Number | AG019YC9 |
| Chemical Name | methyl 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoate hydrochloride |
| IUPAC Name | methyl 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoate;hydrochloride |
| InChI | InChI=1S/C12H13FN2O2.ClH/c1-17-12(16)10(14)4-7-6-15-11-5-8(13)2-3-9(7)11;/h2-3,5-6,10,15H,4,14H2,1H3;1H |
| InChI Key | HQHGFNUBRSTZFF-UHFFFAOYSA-N |
| MDL Number | MFCD22056390 |
| Molecular Formula | C12H14ClFN2O2 |
| Molecular Weight | 272.7032 |
| SMILES | Cl.COC(C(CC1C2=C(C=C(C=C2)F)NC=1)N)=O |
| Synonyms | methyl 2-amino-3-(6-fluoro-1H-indol-3-yl)propanoate hydrochloride,
1018815-57-0,
SCHEMBL6729099,
MCULE-9364588864,
NE37654,
Z1354602509,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.704g/mol |
| Monoisotopic Mass | 272.073g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number