| CAS Number | 1184236-16-5 |
| Catalog Number | AG019VQI |
| Chemical Name | 2-chloro-N-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide |
| IUPAC Name | 2-chloro-N-[2-fluoro-5-(tetrazol-1-yl)phenyl]acetamide |
| InChI | InChI=1S/C9H7ClFN5O/c10-4-9(17)13-8-3-6(1-2-7(8)11)16-5-12-14-15-16/h1-3,5H,4H2,(H,13,17) |
| InChI Key | LLUPTESBZRCLOH-UHFFFAOYSA-N |
| MDL Number | MFCD13154499 |
| Molecular Formula | C9H7ClFN5O |
| Molecular Weight | 255.6362 |
| SMILES | FC1=C(NC(CCl)=O)C=C(N2N=NN=C2)C=C1 |
| Synonyms | 2-chloro-N-[2-fluoro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]acetamide,
1184236-16-5,
ZINC37654241,
NE44609,
RP29115,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.637g/mol |
| Monoisotopic Mass | 255.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number