| CAS Number | 1843-35-2 |
| Catalog Number | AG00AE6M(AGN-PC-0NFG2L) |
| Chemical Name | 3-Azidobenzoic Acid |
| IUPAC Name | 3-azidobenzoic acid |
| InChI | InChI=1S/C7H5N3O2/c8-10-9-6-3-1-2-5(4-6)7(11)12/h1-4H,(H,11,12) |
| InChI Key | XBYIWVXXQSZTFY-UHFFFAOYSA-N |
| MDL Number | MFCD15142979 |
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.1335 |
| SMILES | OC(C1=CC(N=[N+]=[N-])=CC=C1)=O |
| Synonyms | 3-azidobenzoic Acid,
1843-35-2,
3-Azido benzoic acid,
3-Azidobenzoic acidanion,
SCHEMBL13653935,
XBYIWVXXQSZTFY-UHFFFAOYSA-N,
ZINC59696257,
AKOS015995860,
BRD-K61537138-001-01-5,
F2157-0492,
CID11073743,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.136g/mol |
| Monoisotopic Mass | 163.038g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number