| CAS Number | 1094373-86-0 |
| Catalog Number | AG00924O(AGN-PC-06GK7F) |
| Chemical Name | 2-(2-Fluorophenyl)thiazole-4-carboxylic acid |
| IUPAC Name | 2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-8(5-15-9)10(13)14/h1-5H,(H,13,14) |
| InChI Key | DHFRIMBNGDEXQK-UHFFFAOYSA-N |
| MDL Number | MFCD07376366 |
| Molecular Formula | C10H6FNO2S |
| Molecular Weight | 223.2235 |
| SMILES | OC(=O)C1=CSC(=N1)C1=C(F)C=CC=C1 |
| Synonyms | 2-(2-Fluorophenyl)thiazole-4-carboxylic acid,
1094373-86-0,
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid,
SCHEMBL2693403,
CTK7C2395,
DTXSID70655521,
DHFRIMBNGDEXQK-UHFFFAOYSA-N,
AC1Q7420,
ANW-66176,
ZINC36895556,
AKOS008122090,
MCULE-7078040448,
NE25309,
AJ-93414,
TC-154921,
Y5691,
EN300-55501,
Z1259040937,
C10H6FNO2S,
2-(2-Fluorophenyl)thiazole-4-carboxylicacid,
|
| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.221g/mol |
| Monoisotopic Mass | 223.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number