| CAS Number | 1171558-96-5 |
| Catalog Number | AG019V7Q |
| Chemical Name | Methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate hydrochloride |
| IUPAC Name | methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate;hydrochloride |
| InChI | InChI=1S/C11H12F3NO3.ClH/c1-17-10(16)6-9(15)7-2-4-8(5-3-7)18-11(12,13)14;/h2-5,9H,6,15H2,1H3;1H |
| InChI Key | OBORESBJWJFYMZ-UHFFFAOYSA-N |
| MDL Number | MFCD12197054 |
| Molecular Formula | C11H13ClF3NO3 |
| Molecular Weight | 299.6740 |
| SMILES | Cl.COC(CC(C1=CC=C(OC(F)(F)F)C=C1)N)=O |
| Synonyms | methyl 3-amino-3-[4-(trifluoromethoxy)phenyl]propanoate hydrochloride,
1171558-96-5,
METHYL3-AMINO-3-[4-(TRIFLUOROMETHOXY)PHENYL]PROPANOATE HCL,
CTK6J1759,
AKOS016905735,
MCULE-2442102179,
NE30417,
EN300-44009,
Z451452356,
AC1Q3BXE,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.053606g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.67g/mol |
| Monoisotopic Mass | 299.053606g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 61.6Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number