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Indomethacin Impurity 11

CAT: 1596-AR-I03666-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-I03666-01Size:10 Units
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CAS Number
73301-01-6
Synonyms
2,3-dihydroxypropyl 4-chlorobenzoate
Molecular Formula
C10H11ClO4
Molecular Weight
230.64
API Name
Indomethacin

Chemical Information

2,3-Dihydroxypropyl 4-chlorobenzoate
CAS Number73301-01-6
PubChem CID155973
IUPAC Name2,3-dihydroxypropyl 4-chlorobenzoate
Molecular FormulaC10H11ClO4
Molecular Weight230.64
XLogP1.1
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count15
Formal Charge0
Complexity202
SMILES
C1=CC(=CC=C1C(=O)OCC(CO)O)Cl
InChI
InChI=1S/C10H11ClO4/c11-8-3-1-7(2-4-8)10(14)15-6-9(13)5-12/h1-4,9,12-13H,5-6H2
InChIKey
WUFCRWUDJPHBRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Dihydroxypropyl 4-chlorobenzoate
CAS: 73301-01-6
CID: 155973
Formula: C10H11ClO4
MW: 230.64
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.64
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass230.0345865
Monoisotopic Mass230.0345865
Topological Polar Surface Area66.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity202
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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