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13287-73-5 | Acetamide, N-(3-nitro-9-oxo-9H-fluoren-2-yl)-
CAS No: 13287-73-5 Catalog No: AG0011BH MDL No:
Product Description
Catalog Number:
AG0011BH
Chemical Name:
Acetamide, N-(3-nitro-9-oxo-9H-fluoren-2-yl)-
CAS Number:
13287-73-5
Molecular Formula:
C15H10N2O4
Molecular Weight:
282.2509
IUPAC Name:
N-(3-nitro-9-oxofluoren-2-yl)acetamide
InChI:
InChI=1S/C15H10N2O4/c1-8(18)16-13-6-12-11(7-14(13)17(20)21)9-4-2-3-5-10(9)15(12)19/h2-7H,1H3,(H,16,18)
InChI Key:
NKZAKQSPBYLXCN-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc2C(=O)c3c(c2cc1[N+](=O)[O-])cccc3
NSC Number:
60826
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.255g/mol
Monoisotopic Mass:
282.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Structure-based virtual screening and biological evaluation of Mycobacterium tuberculosis adenosine 5'-phosphosulfate reductase inhibitors. | Journal of medicinal chemistry 20081113 |
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