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1190313-45-1 | 1H-Pyrrolo[3,2-b]pyridine, 3-iodo-7-nitro-
CAS No: 1190313-45-1 Catalog No: AG000HL7 MDL No:
Product Description
Catalog Number:
AG000HL7
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 3-iodo-7-nitro-
CAS Number:
1190313-45-1
Molecular Formula:
C7H4IN3O2
Molecular Weight:
289.0300
IUPAC Name:
3-iodo-7-nitro-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C7H4IN3O2/c8-4-3-10-7-5(11(12)13)1-2-9-6(4)7/h1-3,10H
InChI Key:
BNOFFPCUPJAKSG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1[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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