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1398534-56-9

1398534-56-9 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-1-methyl-4-nitro-

CAS No: 1398534-56-9 Catalog No: AG001BQF MDL No:MFCD22423101

Product Description

Catalog Number:
AG001BQF
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-1-methyl-4-nitro-
CAS Number:
1398534-56-9
Molecular Formula:
C8H6IN3O2
Molecular Weight:
303.0566
MDL Number:
MFCD22423101
IUPAC Name:
3-iodo-1-methyl-4-nitropyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H6IN3O2/c1-11-4-5(9)7-6(12(13)14)2-3-10-8(7)11/h2-4H,1H3
InChI Key:
IBSQIBJAAZAPON-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccnc2c1c(I)cn2C

Properties

Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.95g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.059g/mol
Monoisotopic Mass:
302.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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