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1000342-97-1 | Ethanone, 1-(6-iodo-5-nitro-1H-indol-1-yl)-
CAS No: 1000342-97-1 Catalog No: AG0000JU MDL No:
Product Description
Catalog Number:
AG0000JU
Chemical Name:
Ethanone, 1-(6-iodo-5-nitro-1H-indol-1-yl)-
CAS Number:
1000342-97-1
Molecular Formula:
C10H7IN2O3
Molecular Weight:
330.0786
IUPAC Name:
1-(6-iodo-5-nitroindol-1-yl)ethanone
InChI:
InChI=1S/C10H7IN2O3/c1-6(14)12-3-2-7-4-10(13(15)16)8(11)5-9(7)12/h2-5H,1H3
InChI Key:
NZFIEFPPEKNKGO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2ccn(c2cc1I)C(=O)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.081g/mol
Monoisotopic Mass:
329.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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