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16459-38-4 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-nitrophenyl)-
CAS No: 16459-38-4 Catalog No: AG001UYK MDL No:MFCD00174528
Product Description
Catalog Number:
AG001UYK
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-nitrophenyl)-
CAS Number:
16459-38-4
Molecular Formula:
C10H8N4O4
Molecular Weight:
248.1949
MDL Number:
MFCD00174528
IUPAC Name:
5-amino-1-(4-nitrophenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C10H8N4O4/c11-9-8(10(15)16)5-12-13(9)6-1-3-7(4-2-6)14(17)18/h1-5H,11H2,(H,15,16)
InChI Key:
VUYCAWFGQCSWAS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc(c1N)C(=O)O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.198g/mol
Monoisotopic Mass:
248.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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 |
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