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Home > Aldehydes > 189014-13-9
189014-13-9 | 1H-Imidazole-5-carboxaldehyde, 4-iodo-1-methyl-
CAS No: 189014-13-9 Catalog No: AG002HOY MDL No:MFCD01632219
Product Description
Catalog Number:
AG002HOY
Chemical Name:
1H-Imidazole-5-carboxaldehyde, 4-iodo-1-methyl-
CAS Number:
189014-13-9
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD01632219
IUPAC Name:
5-iodo-3-methylimidazole-4-carbaldehyde
InChI:
InChI=1S/C5H5IN2O/c1-8-3-7-5(6)4(8)2-9/h2-3H,1H3
InChI Key:
JMQLLAOXIUEEBR-UHFFFAOYSA-N
SMILES:
Cn1cnc(c1C=O)I
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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