Cas no 142465-05-2 (4(1H)-Quinazolinone, 2-amino-5-fluoro-)
142465-05-2 structure
Product Name:4(1H)-Quinazolinone, 2-amino-5-fluoro-
CAS No:142465-05-2
MF:C8H6FN3O
MW:179.151144504547
CID:2775146
PubChem ID:135518047
Update Time:2025-04-21
4(1H)-Quinazolinone, 2-amino-5-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- DTXCID80390739
- 142465-05-2
- TQR0523
- 2-Amino-5-fluoroquinazolin-4(1H)-one
- DB-134590
- 2-Amino-5-fluoroquinazolin-4-ol
- 2-Amino-5-fluoro-4(3h)-quinazolinone
- AE-413/30061029
- 4(1H)-Quinazolinone, 2-amino-5-fluoro-
- 2-amino-5-fluoro-4-quinazolinol
- DTXSID00439917
- 2-amino-5-fluoro-1,4-dihydroquinazolin-4-one
- SCHEMBL13975880
-
- Inchi： 1S/C8H6FN3O/c9-4-2-1-3-5-6(4)7(13)12-8(10)11-5/h1-3H,(H3,10,11,12,13)
- InChI Key： MGOAQHCQEHUMJU-UHFFFAOYSA-N
- SMILES： FC1=CC=CC2=C1C(NC(N)=N2)=O
Computed Properties
- Exact Mass: 179.04948999Da
- Monoisotopic Mass: 179.04948999Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 266
- 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: 0.2
- Topological Polar Surface Area: 67.5?2
4(1H)-Quinazolinone, 2-amino-5-fluoro- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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