Compound C18H14ClN5O5

ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate

CAS: 1929-56-2

Molecular Formula	`C18H14ClN5O5`
Molecular Weight	415.8 g/mol
LogP	4.1
Topological Polar Surface Area	130.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	415.06836
Heavy Atoms	29
Complexity	703.0

Chemical Identifiers

CAS Number	1929-56-2
SMILES	`CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3`
InChIKey	`XXGRQUKHXMCRNJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C18H14ClN5O5 (CAS: 1929-56-2) is a chemical compound with molecular formula C18H14ClN5O5 and molecular weight 415.8 g/mol. Its IUPAC systematic name is ethyl 4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxylate. LogP 4.1 Topological Polar Surface Area 130.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 8 Rotatable Bonds 6 Exact Mass 415.06836 Heavy Atoms 29 Complexity 703.0 InChI Key: XXGRQUKHXMCRNJ-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=NN(C(=O)C1N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3.

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