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1000343-00-9 | 1H-Indole, 6-iodo-5-nitro-
CAS No: 1000343-00-9 Catalog No: AG0000L7 MDL No:
Product Description
Catalog Number:
AG0000L7
Chemical Name:
1H-Indole, 6-iodo-5-nitro-
CAS Number:
1000343-00-9
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
IUPAC Name:
6-iodo-5-nitro-1H-indole
InChI:
InChI=1S/C8H5IN2O2/c9-6-4-7-5(1-2-10-7)3-8(6)11(12)13/h1-4,10H
InChI Key:
HJQXXEIISYYSCQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2cc[nH]c2cc1I
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.94g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.044g/mol
Monoisotopic Mass:
287.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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