Chemical ID: 3991320

CCOC(=O)C1=NN(C(=O)C1)c2ccc(cc2)Cl
Chemical ID:
3991320
Name [?]:
ethyl 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylate
SMILES [?]:
CCOC(=O)C1=NN(C(=O)C1)c2ccc(cc2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H11ClN2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.85564
Area:459.347
Solvation:-2.62803
Coulombic:-34.817
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:266.68
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.2
LogP (Chemaxon):2.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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