| CAS Number | 949393-05-9 |
| Catalog Number | AG019KWT |
| Chemical Name | 5-(chloromethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| IUPAC Name | 5-(chloromethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| InChI | InChI=1S/C10H7ClFN3OS/c11-5-8-14-15-10(17-8)9(16)13-7-3-1-6(12)2-4-7/h1-4H,5H2,(H,13,16) |
| InChI Key | YZFCHYFTMRSWLU-UHFFFAOYSA-N |
| MDL Number | MFCD09802080 |
| Molecular Formula | C10H7ClFN3OS |
| Molecular Weight | 271.6985 |
| SMILES | FC1=CC=C(NC(C2SC(CCl)=NN=2)=O)C=C1 |
| Synonyms | 5-(chloromethyl)-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide,
949393-05-9,
AC1Q4MJ1,
CTK6H7082,
ZINC12505841,
AKOS030686439,
MCULE-8903067522,
NE45728,
UPCMLD0ENAT5948503:001,
EN300-28821,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.694g/mol |
| Monoisotopic Mass | 270.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number