| CAS Number | 1395078-35-9 |
| Catalog Number | AG01A32K |
| Chemical Name | Methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H9ClFNO2.ClH/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5;/h2-4,8H,12H2,1H3;1H |
| InChI Key | WTVBGDZRYJEHMZ-UHFFFAOYSA-N |
| MDL Number | MFCD22628475 |
| Molecular Formula | C9H10Cl2FNO2 |
| Molecular Weight | 254.0856 |
| SMILES | Cl.COC(C(C1=CC(F)=C(Cl)C=C1)N)=O |
| Synonyms | methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate hydrochloride,
1395078-35-9,
methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate hcl,
SCHEMBL12497395,
WTVBGDZRYJEHMZ-UHFFFAOYSA-N,
MFCD22628475,
NE29956,
AS-44096,
Methyl amino(4-chloro-3-fluorophenyl)acetate hydrochloride,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.082g/mol |
| Monoisotopic Mass | 253.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number