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157953-16-7 | Ethanone, 1-[5-iodo-2,4-bis(phenylmethoxy)phenyl]-
CAS No: 157953-16-7 Catalog No: AG001PVB MDL No:
Product Description
Catalog Number:
AG001PVB
Chemical Name:
Ethanone, 1-[5-iodo-2,4-bis(phenylmethoxy)phenyl]-
CAS Number:
157953-16-7
Molecular Formula:
C22H19IO3
Molecular Weight:
458.2889
IUPAC Name:
1-[5-iodo-2,4-bis(phenylmethoxy)phenyl]ethanone
InChI:
InChI=1S/C22H19IO3/c1-16(24)19-12-20(23)22(26-15-18-10-6-3-7-11-18)13-21(19)25-14-17-8-4-2-5-9-17/h2-13H,14-15H2,1H3
InChI Key:
FTHDUAGDHUXYBM-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(I)c(cc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.038g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.295g/mol
Monoisotopic Mass:
458.038g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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