| CAS Number | 1240598-38-2 |
| Catalog Number | AG01DKLT |
| Chemical Name | 2-Chlorooxazole-4-carbonitrile |
| IUPAC Name | 2-chloro-1,3-oxazole-4-carbonitrile |
| InChI | InChI=1S/C4HClN2O/c5-4-7-3(1-6)2-8-4/h2H |
| InChI Key | LCWUBFNXCPJSSC-UHFFFAOYSA-N |
| MDL Number | MFCD16989394 |
| Molecular Formula | C4HClN2O |
| Molecular Weight | 128.5165 |
| SMILES | ClC=1OC=C(N1)C#N |
| Synonyms | 2-Chlorooxazole-4-carbonitrile,
1240598-38-2,
2-chloro-oxazole-4-carbonitrile,
ZINC95936576,
FCH1314968,
AK431078,
AX8263830,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.978g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.515g/mol |
| Monoisotopic Mass | 127.978g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number