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Home > Indoles and Oxindole > 26491-03-2
26491-03-2 | Ethanone, 1-[3-(acetyloxy)-5-nitro-1H-indol-1-yl]-
CAS No: 26491-03-2 Catalog No: AG002TFO MDL No:
Product Description
Catalog Number:
AG002TFO
Chemical Name:
Ethanone, 1-[3-(acetyloxy)-5-nitro-1H-indol-1-yl]-
CAS Number:
26491-03-2
Molecular Formula:
C12H10N2O5
Molecular Weight:
262.2182
IUPAC Name:
(1-acetyl-5-nitroindol-3-yl) acetate
InChI:
InChI=1S/C12H10N2O5/c1-7(15)13-6-12(19-8(2)16)10-5-9(14(17)18)3-4-11(10)13/h3-6H,1-2H3
InChI Key:
BKXWPRVRPWVLIH-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cn(c2c1cc(cc2)[N+](=O)[O-])C(=O)C
NSC Number:
125368
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.221g/mol
Monoisotopic Mass:
262.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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