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Home > Aldehydes > 186358-39-4
186358-39-4 | Benzaldehyde, 4-iodo-2,5-bis(octyloxy)-
CAS No: 186358-39-4 Catalog No: AG007SC8 MDL No:
Product Description
Catalog Number:
AG007SC8
Chemical Name:
Benzaldehyde, 4-iodo-2,5-bis(octyloxy)-
CAS Number:
186358-39-4
Molecular Formula:
C23H37IO3
Molecular Weight:
488.4425
IUPAC Name:
4-iodo-2,5-dioctoxybenzaldehyde
InChI:
InChI=1S/C23H37IO3/c1-3-5-7-9-11-13-15-26-22-18-21(24)23(17-20(22)19-25)27-16-14-12-10-8-6-4-2/h17-19H,3-16H2,1-2H3
InChI Key:
XBLXIWSNVRTGAD-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1cc(C=O)c(cc1I)OCCCCCCCC
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.179g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.45g/mol
Monoisotopic Mass:
488.179g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8
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