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2059911-94-1 | (2S,5R)-2-(iodomethyl)-5-(4-nitrophenyl)oxane
CAS No: 2059911-94-1 Catalog No: AG01BRBQ MDL No:MFCD30502416
Product Description
Catalog Number:
AG01BRBQ
Chemical Name:
(2S,5R)-2-(iodomethyl)-5-(4-nitrophenyl)oxane
CAS Number:
2059911-94-1
Molecular Formula:
C12H14INO3
Molecular Weight:
347.1489
MDL Number:
MFCD30502416
IUPAC Name:
2-(iodomethyl)-5-(4-nitrophenyl)oxane
InChI:
InChI=1S/C12H14INO3/c13-7-12-6-3-10(8-17-12)9-1-4-11(5-2-9)14(15)16/h1-2,4-5,10,12H,3,6-8H2
InChI Key:
MCUHYVJTUIZHGX-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.002g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.152g/mol
Monoisotopic Mass:
347.002g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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