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2059913-69-6 | (2S,5R)-2-(iodomethyl)-5-(2-nitrophenyl)oxane
CAS No: 2059913-69-6 Catalog No: AG01BRBO MDL No:MFCD30502414
Product Description
Catalog Number:
AG01BRBO
Chemical Name:
(2S,5R)-2-(iodomethyl)-5-(2-nitrophenyl)oxane
CAS Number:
2059913-69-6
Molecular Formula:
C12H14INO3
Molecular Weight:
347.1489
MDL Number:
MFCD30502414
IUPAC Name:
2-(iodomethyl)-5-(2-nitrophenyl)oxane
InChI:
InChI=1S/C12H14INO3/c13-7-10-6-5-9(8-17-10)11-3-1-2-4-12(11)14(15)16/h1-4,9-10H,5-8H2
InChI Key:
NBBIMHZRWCAAMW-UHFFFAOYSA-N
SMILES:
IC[C@@H]1CC[C@@H](CO1)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
269
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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