| CAS Number | 926254-39-9 |
| Catalog Number | AG019NCT |
| Chemical Name | methyl 2-amino-5-(thiophen-2-yl)benzoate |
| IUPAC Name | methyl 2-amino-5-thiophen-2-ylbenzoate |
| InChI | InChI=1S/C12H11NO2S/c1-15-12(14)9-7-8(4-5-10(9)13)11-3-2-6-16-11/h2-7H,13H2,1H3 |
| InChI Key | PNNRKISKHNTAHL-UHFFFAOYSA-N |
| MDL Number | MFCD09042420 |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.2862 |
| SMILES | COC(C1=C(N)C=CC(C2SC=CC=2)=C1)=O |
| Synonyms | methyl 2-amino-5-(thiophen-2-yl)benzoate,
methyl 2-amino-5-thien-2-ylbenzoate,
Z425484856,
926254-39-9,
AC1Q42HS,
CTK6I9227,
ZINC21950870,
AKOS000124400,
MCULE-7266620385,
NE60984,
EN300-40027,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.285g/mol |
| Monoisotopic Mass | 233.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number