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Home > Aldehydes > 1159982-19-0
1159982-19-0 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 3-iodo-
CAS No: 1159982-19-0 Catalog No: AG000HEC MDL No:
Product Description
Catalog Number:
AG000HEC
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 3-iodo-
CAS Number:
1159982-19-0
Molecular Formula:
C8H5IN2O
Molecular Weight:
272.0426
IUPAC Name:
3-iodo-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI:
InChI=1S/C8H5IN2O/c9-6-3-11-8-7(6)5(4-12)1-2-10-8/h1-4H,(H,10,11)
InChI Key:
RHEXEMPHLJQWRH-UHFFFAOYSA-N
SMILES:
O=Cc1ccnc2c1c(I)c[nH]2
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.045g/mol
Monoisotopic Mass:
271.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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