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344-72-9 | Ethyl 2-amino-4-(trifluoromethyl);thiazole-5-carboxylate
CAS No: 344-72-9 Catalog No: AG003Q31 MDL No:MFCD00153147
Product Description
Catalog Number:
AG003Q31
Chemical Name:
Ethyl 2-amino-4-(trifluoromethyl);thiazole-5-carboxylate
CAS Number:
344-72-9
Molecular Formula:
C7H7F3N2O2S
Molecular Weight:
240.2029
MDL Number:
MFCD00153147
IUPAC Name:
ethyl 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C7H7F3N2O2S/c1-2-14-5(13)3-4(7(8,9)10)12-6(11)15-3/h2H2,1H3,(H2,11,12)
InChI Key:
XJRPTMORGOIMMI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C(F)(F)F)N
NSC Number:
4465
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.2g/mol
Monoisotopic Mass:
240.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^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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