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2137728-08-4 | 4-[(benzyloxy)methyl]-1-(iodomethyl)-2-oxabicyclo[2.2.2]octane
CAS No: 2137728-08-4 Catalog No: AG01ELZ0 MDL No:MFCD31539828
Product Description
Catalog Number:
AG01ELZ0
Chemical Name:
4-[(benzyloxy)methyl]-1-(iodomethyl)-2-oxabicyclo[2.2.2]octane
CAS Number:
2137728-08-4
Molecular Formula:
C16H21IO2
Molecular Weight:
372.2412
MDL Number:
MFCD31539828
IUPAC Name:
1-(iodomethyl)-4-(phenylmethoxymethyl)-2-oxabicyclo[2.2.2]octane
InChI:
InChI=1S/C16H21IO2/c17-11-16-8-6-15(7-9-16,13-19-16)12-18-10-14-4-2-1-3-5-14/h1-5H,6-13H2
InChI Key:
HXQDMPDPMCKVHY-UHFFFAOYSA-N
SMILES:
ICC12CCC(CC1)(CO2)COCc1ccccc1
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.059g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
372.246g/mol
Monoisotopic Mass:
372.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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