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3-(p-Chlorophenyl)-3-hydroxyphthalimidine

CAT: 0572-TRC-C381075-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C381075-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
956-92-3
Synonyms
3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1H-isoindol-1-one; C 3/76; Chlorthalidone Impurity J
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC1(NC(=O)c2ccccc12)c3ccc(Cl)cc3
Molecular Formula
C14 H10 Cl N O2
Molecular Weight
259.69
InChI
InChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14(18)12-4-2-1-3-11(12)13(17)16-14/h1-8,18H,(H,16,17)
Additionnal Information
IUPAC name: 3-(4-chlorophenyl)-3-hydroxy-isoindolin-1-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1h-isoindol-1-one
CAS Number956-92-3
PubChem CID11777357
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one
Molecular FormulaC14H10ClNO2
Molecular Weight259.69
XLogP2.3
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity341
SMILES
C1=CC=C2C(=C1)C(=O)NC2(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14(18)12-4-2-1-3-11(12)13(17)16-14/h1-8,18H,(H,16,17)
InChIKey
IVITWRDKZBYCCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)-2,3-dihydro-3-hydroxy-1h-isoindol-1-one
CAS: 956-92-3
CID: 11777357
Formula: C14H10ClNO2
MW: 259.69
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.69
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass259.0400063
Monoisotopic Mass259.0400063
Topological Polar Surface Area49.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity341
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS6020398-012-(2-Aminoethyl)-3-(4-chlorophenyl)-3-hydroxyphthalimidine Hydrochloride (Mazindol Metabolite)
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MBS6021532-012-(2-Aminoethyl)-3-(4-chlorophenyl)-3-hydroxyphthalimidine-d4 Hydrochloride (Mazindol Metabolite)
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