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Home > Aldehydes > 200941-15-7
200941-15-7 | Benzaldehyde, 2-iodo-4-methoxy-5-(1-methylethoxy)-
CAS No: 200941-15-7 Catalog No: AG002D3M MDL No:
Product Description
Catalog Number:
AG002D3M
Chemical Name:
Benzaldehyde, 2-iodo-4-methoxy-5-(1-methylethoxy)-
CAS Number:
200941-15-7
Molecular Formula:
C11H13IO3
Molecular Weight:
320.1236
IUPAC Name:
2-iodo-4-methoxy-5-propan-2-yloxybenzaldehyde
InChI:
InChI=1S/C11H13IO3/c1-7(2)15-11-4-8(6-13)9(12)5-10(11)14-3/h4-7H,1-3H3
InChI Key:
ABFXAWUBURKXCT-UHFFFAOYSA-N
SMILES:
COc1cc(I)c(cc1OC(C)C)C=O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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