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859238-51-0 | 5-Iodoisophthalaldehyde
CAS No: 859238-51-0 Catalog No: AG004MSV MDL No:MFCD07779022
Product Description
Catalog Number:
AG004MSV
Chemical Name:
5-Iodoisophthalaldehyde
CAS Number:
859238-51-0
Molecular Formula:
C8H5IO2
Molecular Weight:
260.0286
MDL Number:
MFCD07779022
IUPAC Name:
5-iodobenzene-1,3-dicarbaldehyde
InChI:
InChI=1S/C8H5IO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-5H
InChI Key:
VHOBEKICGDSVDQ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C=O)cc(c1)I
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.03g/mol
Monoisotopic Mass:
259.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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