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80231-40-9 | 3-Quinolinecarboxaldehyde, 2-iodo-
CAS No: 80231-40-9 Catalog No: AG005C9W MDL No:
Product Description
Catalog Number:
AG005C9W
Chemical Name:
3-Quinolinecarboxaldehyde, 2-iodo-
CAS Number:
80231-40-9
Molecular Formula:
C10H6INO
Molecular Weight:
283.0652
IUPAC Name:
2-iodoquinoline-3-carbaldehyde
InChI:
InChI=1S/C10H6INO/c11-10-8(6-13)5-7-3-1-2-4-9(7)12-10/h1-6H
InChI Key:
RACRQJGNJCQAFA-UHFFFAOYSA-N
SMILES:
O=Cc1cc2ccccc2nc1I
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.068g/mol
Monoisotopic Mass:
282.949g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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