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1190313-51-9 | 1H-Pyrrolo[3,2-b]pyridine, 3-iodo-6-nitro-
CAS No: 1190313-51-9 Catalog No: AG000HL4 MDL No:
Product Description
Catalog Number:
AG000HL4
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3-iodo-6-nitro-
CAS Number:
1190313-51-9
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
IUPAC Name:
3-iodo-6-nitro-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C7H4IN3O2/c8-5-3-9-6-1-4(11(12)13)2-10-7(5)6/h1-3,9H
InChI Key:
YWOYUQMUVNUMBI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc2c(c1)[nH]cc2I
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:
1.5
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