| CAS Number | 1464132-81-7 |
| Catalog Number | AG01BS12 |
| Chemical Name | 5-amino-2-(2,4-dichlorophenyl)-1,3-oxazole-4-carbonitrile |
| IUPAC Name | 5-amino-2-(2,4-dichlorophenyl)-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C10H5Cl2N3O/c11-5-1-2-6(7(12)3-5)10-15-8(4-13)9(14)16-10/h1-3H,14H2 |
| InChI Key | RXCXPLAPQUUAND-UHFFFAOYSA-N |
| MDL Number | MFCD21666622 |
| Molecular Formula | C10H5Cl2N3O |
| Molecular Weight | 254.0722 |
| SMILES | NC1=C(C#N)N=C(C2=C(Cl)C=C(Cl)C=C2)O1 |
| Synonyms | 1464132-81-7,
5-amino-2-(2,4-dichlorophenyl)-1,3-oxazole-4-carbonitrile,
ZINC85016854,
AKOS015349537,
5-amino-2-(2,4-dichlorophenyl)oxazole-4-carbonitrile,
Z2738925344,
|
| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.07g/mol |
| Monoisotopic Mass | 252.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number