| CAS Number | 99972-47-1 |
| Catalog Number | AG003VKY(AGN-PC-02KVEB) |
| Chemical Name | 3-Amino-5-phenylthiophene-2-carboxylic acid |
| IUPAC Name | 3-amino-5-phenylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C11H9NO2S/c12-8-6-9(15-10(8)11(13)14)7-4-2-1-3-5-7/h1-6H,12H2,(H,13,14) |
| InChI Key | CADPUALMFMAHDY-UHFFFAOYSA-N |
| MDL Number | MFCD09756507 |
| Molecular Formula | C11H9NO2S |
| Molecular Weight | 219.2597 |
| SMILES | NC1=C(C(O)=O)SC(C2=CC=CC=C2)=C1 |
| Synonyms | 3-amino-5-phenylthiophene-2-carboxylic acid,
99972-47-1,
2-Thiophenecarboxylic acid, 3-amino-5-phenyl-,
3-amino-5-phenyl-2-thiophenecarboxylic acid,
ACMC-20m31x,
AC1Q519D,
SCHEMBL2044907,
CTK3G7231,
DTXSID80600522,
CADPUALMFMAHDY-UHFFFAOYSA-N,
ZINC9189769,
SBB078738,
AKOS000352545,
MCULE-2945179878,
NE44930,
FT-0708469,
3-Amino-5-phenyl-thiophene-2-carboxylic acid,
Z1821516732,
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| Complexity | 241 |
| 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 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number