| CAS Number | 1427378-93-5 |
| Catalog Number | AG01A3Y9 |
| Chemical Name | 6-bromo-3,3-dimethyl-2,3,4,9-tetrahydro-1H-carbazole |
| IUPAC Name | 6-bromo-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole |
| InChI | InChI=1S/C14H16BrN/c1-14(2)6-5-13-11(8-14)10-7-9(15)3-4-12(10)16-13/h3-4,7,16H,5-6,8H2,1-2H3 |
| InChI Key | DRDOXCHFYRVURO-UHFFFAOYSA-N |
| MDL Number | MFCD21219377 |
| Molecular Formula | C14H16BrN |
| Molecular Weight | 278.1875 |
| SMILES | CC1(CC2=C(NC3=C2C=C(Br)C=C3)CC1)C |
| Synonyms | 6-bromo-3,3-dimethyl-2,3,4,9-tetrahydro-1H-carbazole,
1427378-93-5,
SCHEMBL20602364,
ZINC83729025,
AKOS014670590,
MCULE-4391505319,
NE30529,
Z1561715522,
|
| Complexity | 276 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.193g/mol |
| Monoisotopic Mass | 277.047g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 15.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number