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Home > Fluorides > 121649-18-1
121649-18-1 | 1,3,4-Oxadiazol-2(3H)-one, 5-(4-fluorophenyl)-
CAS No: 121649-18-1 Catalog No: AG0015I1 MDL No:MFCD06373475
Product Description
Catalog Number:
AG0015I1
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one, 5-(4-fluorophenyl)-
CAS Number:
121649-18-1
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD06373475
IUPAC Name:
5-(4-fluorophenyl)-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C8H5FN2O2/c9-6-3-1-5(2-4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12)
InChI Key:
GJHOBBCSKKRRBE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1n[nH]c(=O)o1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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