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Home Carboxys ethyl 4-hydroxy-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylate

ethyl 4-hydroxy-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylate

CAS No.:
26502-55-6
Catalog Number:
AG00J7YC
Molecular Formula:
C12H11N3O5
Molecular Weight:
277.2328
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Product Description
Catalog Number:
AG00J7YC
Chemical Name:
ethyl 4-hydroxy-1-(4-nitrophenyl)-1H-pyrazole-3-carboxylate
CAS Number:
26502-55-6
Molecular Formula:
C12H11N3O5
Molecular Weight:
277.2328
MDL Number:
MFCD01917145
IUPAC Name:
ethyl 4-hydroxy-1-(4-nitrophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C12H11N3O5/c1-2-20-12(17)11-10(16)7-14(13-11)8-3-5-9(6-4-8)15(18)19/h3-7,16H,2H2,1H3
InChI Key:
YCORTVKYQADVAR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(cc1O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
365  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.07g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
277.236g/mol
Monoisotopic Mass:
277.07g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
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