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16078-71-0 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
CAS No: 16078-71-0 Catalog No: AG001VC6 MDL No:MFCD00020731
Product Description
Catalog Number:
AG001VC6
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
CAS Number:
16078-71-0
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD00020731
IUPAC Name:
ethyl 5-amino-1-phenylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChI Key:
AYJIUOZKKTUKKD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccccc1
EC Number:
240-224-8
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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