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1000340-40-8 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-nitro-
CAS No: 1000340-40-8 Catalog No: AG0000DU MDL No:
Product Description
Catalog Number:
AG0000DU
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-nitro-
CAS Number:
1000340-40-8
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
IUPAC Name:
3-iodo-4-nitro-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C7H4IN3O2/c8-4-3-10-7-6(4)5(11(12)13)1-2-9-7/h1-3H,(H,9,10)
InChI Key:
XLVXZIOZDIALSM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1c(I)c[nH]2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.935g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.032g/mol
Monoisotopic Mass:
288.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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