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Compound Fr13360

CAT: 0931-Fr13360-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr13360-02Size:2 mg
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CAS Number
6266-49-5
Bioactivity
Compound Fr13360, with CAS No. 6266-49-5, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13360 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
O=c1n(ncc2ccccc12)-c1ccccc1
Molecular Formula
C14H10N2O
Molecular Weight
222.25
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Phenylphthalazin-1(2h)-one
CAS Number6266-49-5
PubChem CID235626
IUPAC Name2-phenylphthalazin-1-one
Molecular FormulaC14H10N2O
Molecular Weight222.24
XLogP2.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity320
SMILES
C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C=N2
InChI
InChI=1S/C14H10N2O/c17-14-13-9-5-4-6-11(13)10-15-16(14)12-7-2-1-3-8-12/h1-10H
InChIKey
BCCBXCGRKOKWBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenylphthalazin-1(2h)-one
CAS: 6266-49-5
CID: 235626
Formula: C14H10N2O
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass222.079312947
Monoisotopic Mass222.079312947
Topological Polar Surface Area32.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity320
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

Related Products

CatalogName
Fr13367-01Compound Fr13367
Fr13366-01Compound Fr13366
Fr13365-01Compound Fr13365
Fr13320-01Compound Fr13320
Fr13960-01Compound Fr13960
Fr13860-01Compound Fr13860
Fr13306-01Compound Fr13306
Fr13300-01Compound Fr13300
Fr13260-01Compound Fr13260
Fr13560-01Compound Fr13560

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ALX-550-516-M025Compound A
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HY-14176-01Compound E
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MBS3613444-01Compound W
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