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138907-68-3 | 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
CAS No: 138907-68-3 Catalog No: AG0019SC MDL No:MFCD00173917
Product Description
Catalog Number:
AG0019SC
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
CAS Number:
138907-68-3
Molecular Formula:
C12H12FN3O2
Molecular Weight:
249.2410
MDL Number:
MFCD00173917
IUPAC Name:
ethyl 5-amino-1-(4-fluorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H12FN3O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2,14H2,1H3
InChI Key:
RPPPCKSHIYWAPW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1N)c1ccc(cc1)F
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.245g/mol
Monoisotopic Mass:
249.091g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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