| CAS Number | 1008008-56-7 |
| Catalog Number | AG01A6HV |
| Chemical Name | Methyl 2-amino-2-(2,4-dichlorophenyl)acetate |
| IUPAC Name | methyl 2-amino-2-(2,4-dichlorophenyl)acetate |
| InChI | InChI=1S/C9H9Cl2NO2/c1-14-9(13)8(12)6-3-2-5(10)4-7(6)11/h2-4,8H,12H2,1H3 |
| InChI Key | QAOMIBWFHLOTTI-UHFFFAOYSA-N |
| MDL Number | MFCD08051825 |
| Molecular Formula | C9H9Cl2NO2 |
| Molecular Weight | 234.0793 |
| SMILES | COC(C(C1=C(Cl)C=C(Cl)C=C1)N)=O |
| Synonyms | Methyl 2-amino-2-(2,4-dichlorophenyl)acetate,
methyl amino(2,4-dichlorophenyl)acetate,
1008008-56-7,
AC1N1IG9,
BBL006295,
MFCD08051825,
STK067429,
AKOS005389445,
NE48795,
CID4030881,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.076g/mol |
| Monoisotopic Mass | 233.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number