AC1N9G3F
3-(4-bromophenyl)-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
Also Known As: SR-01000083353-1|2-(4-bromophenyl)-3-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazine 1,4-dioxide|2-(4-Bromo-phenyl)-3-methyl-6,7,8,9-tetrahydro-5H-cycloheptapyrazine 1,4-dioxide|2-(4-BROMOPHENYL)-3-METHYL-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRAZINE-1,4-DIIUM-1,4-BIS(OLATE)|3-(4-bromophenyl)-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide
| Molecular Formula | C16H17BrN2O2 |
|---|---|
| Molecular Weight | 348.04733 g/mol |
| LogP | 3.75532 |
| Topological Polar Surface Area | 50.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 348.04733 |
| Monoisotopic Mass | 348.04733 |
| Heavy Atoms | 21 |
| Complexity | 735.42267 |
Chemical Identifiers
| CAS Number | 654634-85-2 |
|---|---|
| SMILES | CC1=C([N+](=O)C2=C(N1[O-])CCCCC2)C3=CC=C(C=C3)Br |
Product Overview
AC1N9G3F (CAS 654634-85-2), with molecular formula C16H17BrN2O2 and molecular weight 348.04733 g/mol. IUPAC: 3-(4-bromophenyl)-2-methyl-1-oxido-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyrazin-4-ium 4-oxide.
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