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138023-40-2 | 1,4-Ethanoquinoxaline, 2,3-dihydro-5-iodo- (9CI)
CAS No: 138023-40-2 Catalog No: AG0017UH MDL No:
Product Description
Catalog Number:
AG0017UH
Chemical Name:
1,4-Ethanoquinoxaline, 2,3-dihydro-5-iodo- (9CI)
CAS Number:
138023-40-2
Molecular Formula:
C10H11IN2
Molecular Weight:
286.1122
IUPAC Name:
3-iodo-1,8-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
InChI:
InChI=1S/C10H11IN2/c11-8-2-1-3-9-10(8)13-6-4-12(9)5-7-13/h1-3H,4-7H2
InChI Key:
XAJAZEGOKNWPLB-UHFFFAOYSA-N
SMILES:
Ic1cccc2c1N1CCN2CC1
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.116g/mol
Monoisotopic Mass:
285.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
6.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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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