| CAS Number | 1082550-10-4 |
| Catalog Number | AG00LAS1(AGN-PC-0WBKHA) |
| Chemical Name | 4-(3-Chlorophenyl)-1,2,5-oxadiazol-3-amine |
| IUPAC Name | 4-(3-chlorophenyl)-1,2,5-oxadiazol-3-amine |
| InChI | InChI=1S/C8H6ClN3O/c9-6-3-1-2-5(4-6)7-8(10)12-13-11-7/h1-4H,(H2,10,12) |
| InChI Key | SFTKVPSMNAPDGM-UHFFFAOYSA-N |
| MDL Number | MFCD11574180 |
| Molecular Formula | C8H6ClN3O |
| Molecular Weight | 195.6057 |
| SMILES | NC1C(C2=CC(Cl)=CC=C2)=NON=1 |
| Synonyms | 4-(3-chlorophenyl)-1,2,5-oxadiazol-3-amine,
1082550-10-4,
ZINC20387503,
AKOS011791523,
MCULE-2228729500,
NE26335,
Z1346385433,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.606g/mol |
| Monoisotopic Mass | 195.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number