| CAS Number | 321435-99-8 |
| Catalog Number | AG01A4AS(AGN-PC-0WNRM5) |
| Chemical Name | 7-Bromo-2,3,4,5-tetrahydro-1H-1-benzazepine |
| IUPAC Name | 7-bromo-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride |
| InChI | InChI=1S/C10H12BrN.ClH/c11-9-4-5-10-8(7-9)3-1-2-6-12-10;/h4-5,7,12H,1-3,6H2;1H |
| InChI Key | FNYLOCPNZVOGLQ-UHFFFAOYSA-N |
| MDL Number | MFCD27923589 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | BrC1=CC2=C(NCCCC2)C=C1 |
| Synonyms | 7-Bromo-2,3,4,5-tetrahydro-1H-benzo[b]azepine hydrochloride,
321435-99-8,
AKOS022176799,
AX8283184,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.575g/mol |
| Monoisotopic Mass | 260.992g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number