| CAS Number | 1087792-10-6 |
| Catalog Number | AG019MNJ |
| Chemical Name | 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C12H10FNO2S/c1-7-11(12(15)16)17-10(14-7)6-8-2-4-9(13)5-3-8/h2-5H,6H2,1H3,(H,15,16) |
| InChI Key | FGPZQXAGWWRIQC-UHFFFAOYSA-N |
| MDL Number | MFCD11099416 |
| Molecular Formula | C12H10FNO2S |
| Molecular Weight | 251.2767 |
| SMILES | CC1=C(C(O)=O)SC(CC2=CC=C(F)C=C2)=N1 |
| Synonyms | 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid,
1087792-10-6,
2-(4-fluorobenzyl)-4-methyl-1,3-thiazole-5-carboxylic acid,
AC1Q2GG2,
SCHEMBL18320904,
CTK7C0363,
ZINC32627052,
AKOS009277758,
MCULE-2944311224,
NE29562,
EN300-36723,
Z380844652,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.275g/mol |
| Monoisotopic Mass | 251.042g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number