| CAS Number | 1219408-44-2 |
| Catalog Number | AG01AR2X(AGN-PC-0WCO2B) |
| Chemical Name | Methyl 2-amino-2-(2-bromophenyl)acetate hydrochloride |
| IUPAC Name | methyl 2-amino-2-(2-bromophenyl)acetate;hydrochloride |
| InChI | InChI=1S/C9H10BrNO2.ClH/c1-13-9(12)8(11)6-4-2-3-5-7(6)10;/h2-5,8H,11H2,1H3;1H |
| InChI Key | YBWCLPWBSZSUQA-UHFFFAOYSA-N |
| MDL Number | MFCD06797218 |
| Molecular Formula | C9H11BrClNO2 |
| Molecular Weight | 280.5461 |
| SMILES | Cl.COC(C(C1=C(Br)C=CC=C1)N)=O |
| Synonyms | methyl amino(2-bromophenyl)acetate hydrochloride,
1219408-44-2,
F2147-0608,
AKOS026677049,
MCULE-9058193978,
L-3230,
METHYLAMINO(2-BROMOPHENYL)ACETATE HYDROCHLORIDE,
532986-35-9,
AMINO-O-TOLYL-ACETIC ACID METHYL ESTER HYDROCHLORIDE,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.546g/mol |
| Monoisotopic Mass | 278.966g/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