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Home > Fluorides > 197305-97-8
197305-97-8 | Pyrimidine, 2-hydrazinyl-4-(trifluoromethyl)-
CAS No: 197305-97-8 Catalog No: AG002AQS MDL No:MFCD00115112
Product Description
Catalog Number:
AG002AQS
Chemical Name:
Pyrimidine, 2-hydrazinyl-4-(trifluoromethyl)-
CAS Number:
197305-97-8
Molecular Formula:
C5H5F3N4
Molecular Weight:
178.1152
MDL Number:
MFCD00115112
IUPAC Name:
[4-(trifluoromethyl)pyrimidin-2-yl]hydrazine
InChI:
InChI=1S/C5H5F3N4/c6-5(7,8)3-1-2-10-4(11-3)12-9/h1-2H,9H2,(H,10,11,12)
InChI Key:
XQCAINVUBSAUBJ-UHFFFAOYSA-N
SMILES:
NNc1nccc(n1)C(F)(F)F
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.118g/mol
Monoisotopic Mass:
178.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Analysis of testosterone and dihydrotestosterone in mouse tissues by liquid chromatography-electrospray ionization-tandem mass spectrometry. | Analytical biochemistry 20100715 |
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