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16459-35-1 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-nitrophenyl)-, ethyl ester
CAS No: 16459-35-1 Catalog No: AG001UYL MDL No:MFCD00277862
Product Description
Catalog Number:
AG001UYL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-nitrophenyl)-, ethyl ester
CAS Number:
16459-35-1
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
MDL Number:
MFCD00277862
IUPAC Name:
ethyl 5-amino-1-(4-nitrophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12N4O4/c1-2-20-12(17)10-7-14-15(11(10)13)8-3-5-9(6-4-8)16(18)19/h3-7H,2,13H2,1H3
InChI Key:
IQYXMFOQGPEJHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)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:
276.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.252g/mol
Monoisotopic Mass:
276.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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 |
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