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(S)-5-Iodo Naproxen

CAT: 0572-TRC-I715300-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-I715300-100MGSize:100 mg
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CAS Number
116883-62-6
Synonyms
(2S)-2-(5-Iodo-6-methoxynaphthalen-2-yl)propanoic Acid; Naproxen Imp. D (EP); 5-Iodonaproxen; Naproxen Impurity D
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
IC=1C2=C(C=C([C@@H](C(O)=O)C)C=C2)C=CC1OC
Molecular Formula
C14 H13 I O3
Molecular Weight
356.16
InChI
InChI=1S/C14H13IO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
Additionnal Information
IUPAC name: (2S)-2-(5-iodo-6-methoxynaphthalen-2-yl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Iodonaproxen, (S)-
CAS Number116883-62-6
PubChem CID71771710
IUPAC Name(2S)-2-(5-iodo-6-methoxynaphthalen-2-yl)propanoic acid
Molecular FormulaC14H13IO3
Molecular Weight356.15
XLogP3.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity307
SMILES
C[C@@H](C1=CC2=C(C=C1)C(=C(C=C2)OC)I)C(=O)O
InChI
InChI=1S/C14H13IO3/c1-8(14(16)17)9-3-5-11-10(7-9)4-6-12(18-2)13(11)15/h3-8H,1-2H3,(H,16,17)/t8-/m0/s1
InChIKey
MNTGUQDQTXNYMT-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 5-Iodonaproxen, (S)-
CAS: 116883-62-6
CID: 71771710
Formula: C14H13IO3
MW: 356.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.15
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass355.99094
Monoisotopic Mass355.99094
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity307
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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