| CAS Number | 77721-44-9 |
| Catalog Number | AG00ICVR |
| Chemical Name | 1-azido-3-(propan-2-yl)benzene |
| IUPAC Name | 1-azido-3-propan-2-ylbenzene |
| InChI | InChI=1S/C9H11N3/c1-7(2)8-4-3-5-9(6-8)11-12-10/h3-7H,1-2H3 |
| InChI Key | MBLMBKYIUKRQRF-UHFFFAOYSA-N |
| MDL Number | MFCD11207322 |
| Molecular Formula | C9H11N3 |
| Molecular Weight | 161.2037 |
| SMILES | CC(C1=CC(N=[N+]=[N-])=CC=C1)C |
| Synonyms | 1-azido-3-(propan-2-yl)benzene,
1-Azido-3-isopropyl-benzene,
ZINC36928117,
BP-22027,
F2157-0488,
77721-44-9,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.208g/mol |
| Monoisotopic Mass | 161.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 14.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number