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Home Halogens ethyl 1-(4-chlorophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

ethyl 1-(4-chlorophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate

CAS No.:
55983-92-1
Catalog Number:
AG00DLXE
Molecular Formula:
C12H11ClN2O3
Molecular Weight:
266.6803
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Product Description
Catalog Number:
AG00DLXE
Chemical Name:
ethyl 1-(4-chlorophenyl)-5-oxidanylidene-4H-pyrazole-3-carboxylate
CAS Number:
55983-92-1
Molecular Formula:
C12H11ClN2O3
Molecular Weight:
266.6803
MDL Number:
MFCD03966886
IUPAC Name:
ethyl 1-(4-chlorophenyl)-5-oxo-4H-pyrazole-3-carboxylate
InChI:
InChI=1S/C12H11ClN2O3/c1-2-18-12(17)10-7-11(16)15(14-10)9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3
InChI Key:
SZQLUXCXCLAPLL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1=NN(C(=O)C1)c1ccc(cc1)Cl
Properties
Complexity:
376  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.046g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.681g/mol
Monoisotopic Mass:
266.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties