| CAS Number | 21036-51-1 |
| Catalog Number | AG00C22I(AGN-PC-06NDHZ) |
| Chemical Name | 7-Methoxybenzo[c][1,2,5]oxadiazol-4-amine |
| IUPAC Name | 4-methoxy-2,1,3-benzoxadiazol-7-amine |
| InChI | InChI=1S/C7H7N3O2/c1-11-5-3-2-4(8)6-7(5)10-12-9-6/h2-3H,8H2,1H3 |
| InChI Key | REQQPMBEQINDBP-UHFFFAOYSA-N |
| MDL Number | MFCD12189715 |
| Molecular Formula | C7H7N3O2 |
| Molecular Weight | 165.1494 |
| SMILES | C12C(N)=CC=C(OC)C1=NON=2 |
| Synonyms | 21036-51-1,
7-methoxy-2,1,3-benzoxadiazol-4-amine,
7-Methoxybenzo[c][1,2,5]oxadiazol-4-amine,
7-Methoxybenzofurazane-4-amine,
ZINC35675780,
AKOS009542742,
Y-7084,
7-methoxy-2,1,3-benzoxadiazol-4-amine(SALTDATA,
AJ-92069,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.053826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.15g/mol |
| Monoisotopic Mass | 165.053826g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number