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Home > Indoles and Oxindole > 1360963-23-0
1360963-23-0 | 3-iodo-6-nitro-1H-indole
CAS No: 1360963-23-0 Catalog No: AG00HUGU MDL No:
Product Description
Catalog Number:
AG00HUGU
Chemical Name:
3-iodo-6-nitro-1H-indole
CAS Number:
1360963-23-0
Molecular Formula:
C8H5IN2O2
Molecular Weight:
288.0420
IUPAC Name:
3-iodo-6-nitro-1H-indole
InChI:
InChI=1S/C8H5IN2O2/c9-7-4-10-8-3-5(11(12)13)1-2-6(7)8/h1-4,10H
InChI Key:
VWYMWFCKFDGAFF-UHFFFAOYSA-N
SMILES:
O=N(=O)c1ccc2c(c1)[nH]cc2I
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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