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24768-82-9 | Isoxazole, 4-iodo-3,5-diphenyl-
CAS No: 24768-82-9 Catalog No: AG002PE5 MDL No:
Product Description
Catalog Number:
AG002PE5
Chemical Name:
Isoxazole, 4-iodo-3,5-diphenyl-
CAS Number:
24768-82-9
Molecular Formula:
C15H10INO
Molecular Weight:
347.1505
IUPAC Name:
4-iodo-3,5-diphenyl-1,2-oxazole
InChI:
InChI=1S/C15H10INO/c16-13-14(11-7-3-1-4-8-11)17-18-15(13)12-9-5-2-6-10-12/h1-10H
InChI Key:
BCNDCWAZCSFBDY-UHFFFAOYSA-N
SMILES:
Ic1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.981g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.155g/mol
Monoisotopic Mass:
346.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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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