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1190312-56-1 | 1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 3-iodo-
CAS No: 1190312-56-1 Catalog No: AG000HJR MDL No:
Product Description
Catalog Number:
AG000HJR
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 3-iodo-
CAS Number:
1190312-56-1
Molecular Formula:
C8H4IN3
Molecular Weight:
269.0419
IUPAC Name:
3-iodo-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
InChI:
InChI=1S/C8H4IN3/c9-6-4-11-7-1-5(2-10)3-12-8(6)7/h1,3-4,11H
InChI Key:
WXZYWQXQGKFWCN-UHFFFAOYSA-N
SMILES:
N#Cc1cnc2c(c1)[nH]cc2I
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.045g/mol
Monoisotopic Mass:
268.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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