| CAS Number | 1250609-07-4 |
| Catalog Number | AG01BK91 |
| Chemical Name | 5-(azidomethyl)furan-2-carboxylic acid |
| IUPAC Name | 5-(azidomethyl)furan-2-carboxylic acid |
| InChI | InChI=1S/C6H5N3O3/c7-9-8-3-4-1-2-5(12-4)6(10)11/h1-2H,3H2,(H,10,11) |
| InChI Key | NIIXHKOGJUSUTI-UHFFFAOYSA-N |
| MDL Number | MFCD14652621 |
| Molecular Formula | C6H5N3O3 |
| Molecular Weight | 167.1222 |
| SMILES | OC(C1OC(CN=[N+]=[N-])=CC=1)=O |
| Synonyms | 5-(azidomethyl)furan-2-carboxylic acid,
SCHEMBL16670201,
AKOS010633173,
F8882-5589,
1250609-07-4,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.124g/mol |
| Monoisotopic Mass | 167.033g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number