| CAS Number | 1235440-80-8 |
| Catalog Number | AG01A8RA |
| Chemical Name | Methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl]benzoate hydrochloride |
| IUPAC Name | methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl]benzoate;hydrochloride |
| InChI | InChI=1S/C12H12N2O2S.ClH/c1-16-11(15)9-4-2-3-8(5-9)6-10-7-14-12(13)17-10;/h2-5,7H,6H2,1H3,(H2,13,14);1H |
| InChI Key | RRNSYZKCYAQTLJ-UHFFFAOYSA-N |
| MDL Number | MFCD16040159 |
| Molecular Formula | C12H13ClN2O2S |
| Molecular Weight | 284.7618 |
| SMILES | Cl.COC(C1=CC(CC2SC(N)=NC=2)=CC=C1)=O |
| Synonyms | methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl]benzoate hydrochloride,
1235440-80-8,
AC1Q3BW2,
MCULE-6678882051,
NE47151,
EN300-62375,
Z992717248,
|
| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.758g/mol |
| Monoisotopic Mass | 284.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number