| CAS Number | 790263-25-1 |
| Catalog Number | AG019JGC |
| Chemical Name | [3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile |
| IUPAC Name | 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile |
| InChI | InChI=1S/C10H6ClN3O/c11-8-4-2-1-3-7(8)10-13-9(5-6-12)15-14-10/h1-4H,5H2 |
| InChI Key | UYXSPNGDHZUTRL-UHFFFAOYSA-N |
| MDL Number | MFCD06357330 |
| Molecular Formula | C10H6ClN3O |
| Molecular Weight | 219.6271 |
| SMILES | ClC1=C(C2N=C(CC#N)ON=2)C=CC=C1 |
| Synonyms | 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile,
790263-25-1,
EN300-09366,
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetonitrile,
AC1Q3HI1,
AC1M883P,
ZINC3389506,
AKOS000117164,
MCULE-1652480175,
NE61992,
Z56346937,
ZINC03389506,
CID2507682,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.628g/mol |
| Monoisotopic Mass | 219.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number