AC1LLMF3 structure

AC1LLMF3

2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione

Also Known As: CBMicro_016416|Oprea1_068302|Oprea1_842017|CCG-5440|BAS 00030676|BIM-0016436.P001|AG-690/12763045|2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-4-nitro-1H-isoindole-1,3(2H)-dione|2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione

CAS: 5301-17-7
Molecular Formula C19H14N4O5
Molecular Weight 378.0964 g/mol
LogP 2.19322
Topological Polar Surface Area 107.45 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
Rotatable Bonds 3
Exact Mass 378.0964
Monoisotopic Mass 378.0964
Heavy Atoms 28
Complexity 1223.1112

Chemical Identifiers

CAS Number 5301-17-7
SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Product Overview

AC1LLMF3 (CAS 5301-17-7), with molecular formula C19H14N4O5 and molecular weight 378.0964 g/mol. IUPAC: 2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-nitroisoindole-1,3-dione.

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