| CAS Number | 929972-42-9 |
| Catalog Number | AG019KIU |
| Chemical Name | 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C12H10FNO3S/c1-7-11(12(15)16)18-10(14-7)6-17-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H,15,16) |
| InChI Key | TVSJYRUIRDKGAI-UHFFFAOYSA-N |
| MDL Number | MFCD09040512 |
| Molecular Formula | C12H10FNO3S |
| Molecular Weight | 267.2761 |
| SMILES | CC1=C(C(O)=O)SC(COC2=CC=C(F)C=C2)=N1 |
| Synonyms | 2-(4-fluorophenoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid,
2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid,
929972-42-9,
CTK7C1052,
STL453442,
ZINC12505357,
AKOS022355759,
MCULE-5497015337,
NE23865,
EN300-27110,
AB00768746-01,
Z227977810,
AC1Q2GG9,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.036543g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.28g/mol |
| Monoisotopic Mass | 267.036543g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number