| CAS Number | 1193390-47-4 |
| Catalog Number | AG019WNQ |
| Chemical Name | 3-[(5-Chloro-2-methoxyphenyl)amino]propanoic acid hydrochloride |
| IUPAC Name | 3-(5-chloro-2-methoxyanilino)propanoic acid;hydrochloride |
| InChI | InChI=1S/C10H12ClNO3.ClH/c1-15-9-3-2-7(11)6-8(9)12-5-4-10(13)14;/h2-3,6,12H,4-5H2,1H3,(H,13,14);1H |
| InChI Key | PKBGSQVPUGCOAH-UHFFFAOYSA-N |
| MDL Number | MFCD12913124 |
| Molecular Formula | C10H13Cl2NO3 |
| Molecular Weight | 266.1211 |
| SMILES | Cl.COC1=C(NCCC(O)=O)C=C(Cl)C=C1 |
| Synonyms | 3-[(5-chloro-2-methoxyphenyl)amino]propanoic acid hydrochloride,
1193390-47-4,
AC1Q3BZP,
CTK7A7072,
AKOS008119099,
MCULE-2968317688,
NE21554,
EN300-52545,
Z763367866,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.118g/mol |
| Monoisotopic Mass | 265.027g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number