| CAS Number | 1559059-84-5 |
| Catalog Number | AG00J2ZU(AGN-PC-0WB68C) |
| Chemical Name | 2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid hydrate |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrate |
| InChI | InChI=1S/C11H6F3NO2S.H2O/c12-11(13,14)7-3-1-6(2-4-7)9-15-8(5-18-9)10(16)17;/h1-5H,(H,16,17);1H2 |
| InChI Key | NYMMKWJXRDAUSN-UHFFFAOYSA-N |
| MDL Number | MFCD05865138 |
| Molecular Formula | C11H8F3NO3S |
| Molecular Weight | 291.2463 |
| SMILES | C1(C(O)=O)=CSC(C2C=CC(=CC=2)C(F)(F)F)=N1.O |
| Synonyms | 1559059-84-5,
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid hydrate,
2-(4-(Trifluoromethyl)phenyl)thiazole-4-carboxylic acid hydrate,
ZX-CM011034,
MFCD27966308,
AKOS027426459,
A-7037,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.244g/mol |
| Monoisotopic Mass | 291.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Lot Number