| CAS Number | 1096770-86-3 |
| Catalog Number | AG008250(AGN-PC-07XVKD) |
| Chemical Name | 2-Amino-4-(3-thienyl)benzoic acid |
| IUPAC Name | 2-amino-4-thiophen-3-ylbenzoic acid |
| InChI | InChI=1S/C11H9NO2S/c12-10-5-7(8-3-4-15-6-8)1-2-9(10)11(13)14/h1-6H,12H2,(H,13,14) |
| InChI Key | DEROVNREILSZBL-UHFFFAOYSA-N |
| MDL Number | MFCD07357340 |
| Molecular Formula | C11H9NO2S |
| Molecular Weight | 219.2597 |
| SMILES | OC(=O)c1ccc(cc1N)c1cscc1 |
| Synonyms | 1096770-86-3,
2-Amino-4-(3-thienyl)benzoic acid,
2-amino-4-(thiophen-3-yl)benzoic acid,
Benzoicacid, 2-amino-4-(3-thienyl)-,
CTK0G9223,
DTXSID30675427,
MFCD07357340,
ZINC36294178,
AKOS015958390,
MCULE-8863735926,
2-Amino-4-(3-thienyl)benzoic acid, 96%,
F9995-0904,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.258g/mol |
| Monoisotopic Mass | 219.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 91.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number