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2059908-03-9 | (2S,4R)-2-(iodomethyl)-4-(4-nitrophenyl)oxolane
CAS No: 2059908-03-9 Catalog No: AG01BR8M MDL No:MFCD30502304
Product Description
Catalog Number:
AG01BR8M
Chemical Name:
(2S,4R)-2-(iodomethyl)-4-(4-nitrophenyl)oxolane
CAS Number:
2059908-03-9
Molecular Formula:
C11H12INO3
Molecular Weight:
333.1223
MDL Number:
MFCD30502304
IUPAC Name:
2-(iodomethyl)-4-(4-nitrophenyl)oxolane
InChI:
InChI=1S/C11H12INO3/c12-6-11-5-9(7-16-11)8-1-3-10(4-2-8)13(14)15/h1-4,9,11H,5-7H2
InChI Key:
WGPIUPMQGKCYQG-UHFFFAOYSA-N
SMILES:
IC[C@H]1OC[C@H](C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.986g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.125g/mol
Monoisotopic Mass:
332.986g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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