| CAS Number | 1546503-21-2 |
| Catalog Number | AG01C27B |
| Chemical Name | 1,2,3-Benzoxadiazole-7-carboxylic acid |
| IUPAC Name | 1,2,3-benzoxadiazole-7-carboxylic acid |
| InChI | InChI=1S/C7H4N2O3/c10-7(11)4-2-1-3-5-6(4)12-9-8-5/h1-3H,(H,10,11) |
| InChI Key | SOGCLHMYYWFZIN-UHFFFAOYSA-N |
| MDL Number | MFCD26722680 |
| Molecular Formula | C7H4N2O3 |
| Molecular Weight | 164.1183 |
| SMILES | C(=O)(O)c1c2c(nno2)ccc1 |
| Synonyms | 1,2,3-benzoxadiazole-7-carboxylic acid,
1546503-21-2,
ZINC79331921,
AKOS023557555,
Z2255110094,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.12g/mol |
| Monoisotopic Mass | 164.022g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number