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(S)-5-Chloro Naproxen

CAT: 0572-TRC-C369715-2.5GSize: 2.5 gDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-C369715-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89617-86-7
Synonyms
(2S)-2-(5-Chloro-6-methoxynaphthalen-2-yl)propanoic Acid; Naproxen Imp. B (EP); 5-Chloronaproxen; Naproxen Impurity B
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
COc1ccc2cc(ccc2c1Cl)[C@H](C)C(=O)O
Molecular Formula
C14 H13 Cl O3
Molecular Weight
264.7
InChI
InChI=1S/C14H13ClO3/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-chloro-6-methoxynaphthalen-2-yl)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Chloronaproxen, (S)-
CAS Number89617-86-7
PubChem CID13075209
IUPAC Name(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
Molecular FormulaC14H13ClO3
Molecular Weight264.70
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)Cl)C(=O)O
InChI
InChI=1S/C14H13ClO3/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
RVVAYDHIVLCPBC-QMMMGPOBSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloronaproxen, (S)-
CAS: 89617-86-7
CID: 13075209
Formula: C14H13ClO3
MW: 264.70
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight264.70
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass264.0553220
Monoisotopic Mass264.0553220
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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