| CAS Number | 215738-51-5 |
| Catalog Number | AG01C2AC(AGN-PC-0QY4ND) |
| Chemical Name | ethyl 3-amino-3-(3,5-dichlorophenyl)propanoate hydrochloride |
| IUPAC Name | ethyl 3-amino-3-(3,5-dichlorophenyl)propanoate;hydrochloride |
| InChI | InChI=1S/C11H13Cl2NO2.ClH/c1-2-16-11(15)6-10(14)7-3-8(12)5-9(13)4-7;/h3-5,10H,2,6,14H2,1H3;1H |
| InChI Key | WTZLNIDVFBQYAB-UHFFFAOYSA-N |
| MDL Number | MFCD04973427 |
| Molecular Formula | C11H14Cl3NO2 |
| Molecular Weight | 298.5934 |
| SMILES | Cl.CCOC(CC(C1=CC(Cl)=CC(Cl)=C1)N)=O |
| Synonyms | 215738-51-5,
ethyl 3-amino-3-(3,5-dichlorophenyl)propanoate hydrochloride,
SCHEMBL6778152,
BENZENEPROPANOIC ACID, ?-?AMINO-?3,?5-?DICHLORO-?, ETHYL ESTER, HCL (1:1),
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.588g/mol |
| Monoisotopic Mass | 297.009g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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