| CAS Number | 80277-04-9 |
| Catalog Number | AG01BDLS(AGN-PC-067ATV) |
| Chemical Name | 5-Chloro-2,1,3-benzoxadiazol-4-amine |
| IUPAC Name | 5-chloro-2,1,3-benzoxadiazol-4-amine |
| InChI | InChI=1S/C6H4ClN3O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2 |
| InChI Key | ZSWJSENIQJOSLN-UHFFFAOYSA-N |
| MDL Number | MFCD09996835 |
| Molecular Formula | C6H4ClN3O |
| Molecular Weight | 169.5685 |
| SMILES | NC1C2C(=NON=2)C=CC=1Cl |
| Synonyms | 5-chloro-2,1,3-benzoxadiazol-4-amine,
80277-04-9,
5-chlorobenzo[c][1,2,5]oxadiazol-4-amine,
5-Chlorobenzofurazane-4-amine,
BBL010834,
MFCD09996835,
STK633192,
ZINC12243770,
AKOS005565091,
MCULE-4685011502,
NE53317,
Z1839481060,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.568g/mol |
| Monoisotopic Mass | 169.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number