AC1N9G3F structure

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

CAS: 654634-85-2
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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