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116988-87-5 | 1,2-Oxaphosphorinane, 6-(iodomethyl)-2-phenoxy-, 2-oxide, (2R,6S)-rel-
CAS No: 116988-87-5 Catalog No: AG000DG9 MDL No:
Product Description
Catalog Number:
AG000DG9
Chemical Name:
1,2-Oxaphosphorinane, 6-(iodomethyl)-2-phenoxy-, 2-oxide, (2R,6S)-rel-
CAS Number:
116988-87-5
Molecular Formula:
C11H14IO3P
Molecular Weight:
352.1053
IUPAC Name:
6-(iodomethyl)-2-phenoxy-1,2λ5-oxaphosphinane 2-oxide
InChI:
InChI=1S/C11H14IO3P/c12-9-11-7-4-8-16(13,15-11)14-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2
InChI Key:
GZDWSSQWAPFIQZ-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CCC[P@@](=O)(O1)Oc1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.973g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.108g/mol
Monoisotopic Mass:
351.973g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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