Cas no 63536-23-2 (Methanone, phenyl-1-phthalazinyl-)
63536-23-2 structure
Product Name:Methanone, phenyl-1-phthalazinyl-
CAS No:63536-23-2
MF:C15H10N2O
MW:234.25270318985
CID:426216
PubChem ID:12361168
Update Time:2025-04-19
Methanone, phenyl-1-phthalazinyl- Chemical and Physical Properties
Names and Identifiers
-
- Methanone, phenyl-1-phthalazinyl-
- phenyl(phthalazin-1-yl)methanone
- 1-Benzoylphthalazine
- DTXSID20494068
- 63536-23-2
-
- Inchi: 1S/C15H10N2O/c18-15(11-6-2-1-3-7-11)14-13-9-5-4-8-12(13)10-16-17-14/h1-10H
- InChI Key: OLCQPAZSYSUWMZ-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)C1=C2C=CC=CC2=CN=N1
Computed Properties
- Exact Mass: 234.0794
- Monoisotopic Mass: 234.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 299
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
Methanone, phenyl-1-phthalazinyl- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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