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Venetoclax Impurity 5

CAT: 1299-RM-V051405-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V051405-01Size:10 mg
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CAS Number
2142574-09-0
Synonyms
2- ((1H-pyrrolo[2,3-b]pyridin-5-yl) oxy) -4-fluorobenzoic acid
Molecular Formula
C14H9FN2O3
Molecular Weight
272.24
Target Alternative Name
Venetoclax
Product Name Synonym
2- ((1H-pyrrolo[2,3-b]pyridin-5-yl) oxy) -4-fluorobenzoic acid

Chemical Information

4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CAS Number2142574-09-0
PubChem CID132212232
IUPAC Name4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
Molecular FormulaC14H9FN2O3
Molecular Weight272.23
XLogP2.5
Topological Polar Surface Area75.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity368
SMILES
C1=CC(=C(C=C1F)OC2=CN=C3C(=C2)C=CN3)C(=O)O
InChI
InChI=1S/C14H9FN2O3/c15-9-1-2-11(14(18)19)12(6-9)20-10-5-8-3-4-16-13(8)17-7-10/h1-7H,(H,16,17)(H,18,19)
InChIKey
ZMOOAUMAIIEUIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoic acid
CAS: 2142574-09-0
CID: 132212232
Formula: C14H9FN2O3
MW: 272.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.23
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass272.05972032
Monoisotopic Mass272.05972032
Topological Polar Surface Area75.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity368
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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