| CAS Number | 1079401-91-4 |
| Catalog Number | AG00HB1Z(AGN-PC-0WR2ZD) |
| Chemical Name | 1,2,5-oxadiazole-3-carbonyl chloride |
| IUPAC Name | 1,2,5-oxadiazole-3-carbonyl chloride |
| InChI | InChI=1S/C3HClN2O2/c4-3(7)2-1-5-8-6-2/h1H |
| InChI Key | RDMKWOJHAYRKCF-UHFFFAOYSA-N |
| MDL Number | MFCD02853071 |
| Molecular Formula | C3HClN2O2 |
| Molecular Weight | 132.5052 |
| SMILES | ClC(=O)C1=NON=C1 |
| Synonyms | 1,2,5-oxadiazole-3-carbonyl chloride,
1079401-91-4,
SCHEMBL1076693,
RDMKWOJHAYRKCF-UHFFFAOYSA-N,
MFCD20482613,
ZINC115174414,
AS-46728,
1,2,5-oxadiazole-3-carboxylic acid chloride,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.973g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.503g/mol |
| Monoisotopic Mass | 131.973g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 56A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number