| CAS Number | 1909315-95-2 |
| Catalog Number | AG01C6MC |
| Chemical Name | 8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride |
| IUPAC Name | 7-fluoro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;hydrochloride |
| InChI | InChI=1S/C11H14FN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H |
| InChI Key | AJMVVLFLOCRJJY-UHFFFAOYSA-N |
| MDL Number | MFCD29907175 |
| Molecular Formula | C11H15ClFN |
| Molecular Weight | 215.6949 |
| SMILES | Cl.CC1C2=C(C=CC(=C2)F)CCNC1 |
| Synonyms | 8-fluoro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride,
1909315-95-2,
Z2469606502,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.696g/mol |
| Monoisotopic Mass | 215.088g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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