| CAS Number | 1094398-56-7 |
| Catalog Number | AG019XI3 |
| Chemical Name | Ethyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate |
| IUPAC Name | ethyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate |
| InChI | InChI=1S/C13H12BrNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-4-3-5-9(14)6-8/h3-7H,2,15H2,1H3 |
| InChI Key | VZQSNKGEWIIAMI-UHFFFAOYSA-N |
| MDL Number | MFCD09835656 |
| Molecular Formula | C13H12BrNO2S |
| Molecular Weight | 326.2089 |
| SMILES | CCOC(C1=C(N)C=C(C2=CC(Br)=CC=C2)S1)=O |
| Synonyms | ethyl 3-amino-5-(3-bromophenyl)thiophene-2-carboxylate,
1094398-56-7,
AC1Q330O,
CTK6F7945,
ZINC36929275,
AKOS005920667,
MCULE-4295588243,
NE35405,
EN300-55066,
Z1259341061,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.208g/mol |
| Monoisotopic Mass | 324.977g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 80.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number