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Olaparib Impurity V

CAT: 1299-RM-O121622-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O121622-01Size:10 mg
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CAS Number
42086-73-7
Synonyms
(Z) -3- ((3-oxoisobenzofuran-1 (3H) -ylidene) methyl) benzonitrile
Molecular Formula
C16H9NO2
Molecular Weight
247.25
Target Alternative Name
Olaparib
Product Name Synonym
(Z) -3- ((3-oxoisobenzofuran-1 (3H) -ylidene) methyl) benzonitrile

Chemical Information

Olaparib Impurity V
CAS Number42086-73-7
PubChem CID166731641
IUPAC Name3-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]benzonitrile
Molecular FormulaC16H9NO2
Molecular Weight247.25
XLogP3.2
Topological Polar Surface Area50.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity445
SMILES
C1=CC=C2C(=C1)/C(=C/C3=CC(=CC=C3)C#N)/OC2=O
InChI
InChI=1S/C16H9NO2/c17-10-12-5-3-4-11(8-12)9-15-13-6-1-2-7-14(13)16(18)19-15/h1-9H/b15-9-
InChIKey
FCXMKELNVVARNC-DHDCSXOGSA-N
Chemical Structure
2D Structure
2D structure of Olaparib Impurity V
CAS: 42086-73-7
CID: 166731641
Formula: C16H9NO2
MW: 247.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.25
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass247.063328530
Monoisotopic Mass247.063328530
Topological Polar Surface Area50.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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