| CAS Number | 350480-54-5 |
| Catalog Number | AG01ACXD(AGN-PC-0RAE52) |
| Chemical Name | methyl 2-amino-2-(3-chloro-4-methoxyphenyl)acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-(3-chloro-4-methoxyphenyl)acetate;hydrochloride |
| InChI | InChI=1S/C10H12ClNO3.ClH/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2;/h3-5,9H,12H2,1-2H3;1H |
| InChI Key | HGDPHQRPQZIWNL-UHFFFAOYSA-N |
| MDL Number | MFCD26936170 |
| Molecular Formula | C10H13Cl2NO3 |
| Molecular Weight | 266.1211 |
| SMILES | Cl.COC(C(C1=CC(Cl)=C(OC)C=C1)N)=O |
| Synonyms | methyl 2-amino-2-(3-chloro-4-methoxyphenyl)acetate hydrochloride,
350480-54-5,
NE21896,
METHYL2-AMINO-2-(3-CHLORO-4-METHOXYPHENYL)ACETATE HCL,
|
| Complexity | 225 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.118g/mol |
| Monoisotopic Mass | 265.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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