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86795-52-0 | 2-OXO-3-(PHENYLIODONIO)-1,2-DIHYDROQUINOLIN-4-OLATE
CAS No: 86795-52-0 Catalog No: AG004JHN MDL No:MFCD00179910
Product Description
Catalog Number:
AG004JHN
Chemical Name:
2-OXO-3-(PHENYLIODONIO)-1,2-DIHYDROQUINOLIN-4-OLATE
CAS Number:
86795-52-0
Molecular Formula:
C15H10INO2
Molecular Weight:
363.1499
MDL Number:
MFCD00179910
IUPAC Name:
2-oxo-3-phenyliodonio-1H-quinolin-4-olate
InChI:
InChI=1S/C15H10INO2/c18-14-11-8-4-5-9-12(11)17-15(19)13(14)16-10-6-2-1-3-7-10/h1-9H,(H-,17,18,19)
InChI Key:
MZDNUTMSDUAJFZ-UHFFFAOYSA-N
SMILES:
O=c1[nH]c2ccccc2c(c1[I+]c1ccccc1)[O-]
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.976g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.154g/mol
Monoisotopic Mass:
362.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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