Cas no 61959-58-8 (Benzo[f]pyrimido[5,4-h]quinazoline)
![Benzo[f]pyrimido[5,4-h]quinazoline structure](https://ossimg.kuujia.com/scimg/62000/61959-58-8x500.png)
61959-58-8 structure
Product Name:Benzo[f]pyrimido[5,4-h]quinazoline
CAS No:61959-58-8
MF:C14H8N4
MW:232.240121841431
CID:462338
PubChem ID:12324576
Update Time:2025-04-19
Benzo[f]pyrimido[5,4-h]quinazoline Chemical and Physical Properties
Names and Identifiers
-
- Benzo[f]pyrimido[5,4-h]quinazoline
- DTXSID60489190
- 61959-58-8
-
- Inchi： 1S/C14H8N4/c1-2-4-10-9(3-1)11-5-15-7-17-13(11)14-12(10)6-16-8-18-14/h1-8H
- InChI Key： UTHHDULBCRLACV-UHFFFAOYSA-N
- SMILES： N1C=NC=C2C=1C1C(=CN=CN=1)C1C=CC=CC=12
Computed Properties
- Exact Mass: 232.07504
- Monoisotopic Mass: 232.074896272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 278
- 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: 1.5
- Topological Polar Surface Area: 51.6?2
Experimental Properties
- PSA: 51.56
Benzo[f]pyrimido[5,4-h]quinazoline Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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