| CAS Number | 45990-12-3 |
| Catalog Number | AG00DNF5(AGN-PC-0WACHD) |
| Chemical Name | Benz[cd]indole, 1,2-dihydro- (6CI,9CI) |
| IUPAC Name | 1,2-dihydrobenzo[cd]indole |
| InChI | InChI=1S/C11H9N/c1-3-8-4-2-6-10-11(8)9(5-1)7-12-10/h1-6,12H,7H2 |
| InChI Key | HFJHUOIVZVHBBM-UHFFFAOYSA-N |
| MDL Number | MFCD20661657 |
| Molecular Formula | C11H9N |
| Molecular Weight | 155.1959 |
| SMILES | C=1C=C2C=CC=C3C2=C(C1)NC3 |
| Synonyms | 45990-12-3,
2-Azatricyclo[6.3.1.0,4,12]dodeca-1(12),4,6,8,10-pentaene,
azaacenaphthene,
benz(cd)indoline,
Benz[cd]indole, 1,2-dihydro- (6CI,9CI),
1,2-Dihydrobenz[cd]indole,
SCHEMBL7604368,
CTK8I7873,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.2g/mol |
| Monoisotopic Mass | 155.073g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number