| CAS Number | 877758-98-0 |
| Catalog Number | AG00IERB(AGN-PC-0WNRL6) |
| Chemical Name | 4-(1,3-Thiazol-4-yl)benzoic acid |
| IUPAC Name | 4-(1,3-thiazol-4-yl)benzoic acid |
| InChI | InChI=1S/C10H7NO2S/c12-10(13)8-3-1-7(2-4-8)9-5-14-6-11-9/h1-6H,(H,12,13) |
| InChI Key | DJJLKDMESZPSAM-UHFFFAOYSA-N |
| MDL Number | MFCD11640416 |
| Molecular Formula | C10H7NO2S |
| Molecular Weight | 205.2331 |
| SMILES | OC(C1=CC=C(C2N=CSC=2)C=C1)=O |
| Synonyms | 4-(Thiazol-4-yl)benzoic acid,
877758-98-0,
4-(1,3-thiazol-4-yl)benzoic acid,
4-(4-carboxyphenyl)thiazole,
SCHEMBL600911,
CHEMBL3452467,
DTXSID90655821,
ZINC37239773,
AKOS009457045,
MCULE-2350276184,
NE43691,
AJ-93719,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.231g/mol |
| Monoisotopic Mass | 205.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number