Cas no 13213-90-6 (1-phenyl-1,4-dihydro-2H-3,1-benzoxazin-2-one)
13213-90-6 structure
Product Name:1-phenyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
CAS No:13213-90-6
MF:C14H11NO2
MW:225.242643594742
CID:1234530
PubChem ID:25787
Update Time:2025-04-20
1-phenyl-1,4-dihydro-2H-3,1-benzoxazin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1-phenyl-1,4-dihydro-2H-3,1-benzoxazin-2-one
- 1-phenyl-4H-3,1-benzoxazin-2-one
- DTXSID80157364
- VUFB-6775
- 2H-3,1-BENZOXAZIN-2-ONE, 1,4-DIHYDRO-1-PHENYL-
- 1,4-Dihydro-1-phenyl-2H-3,1-benzoxazin-2-one
- BRN 0651603
- 13213-90-6
-
- Inchi： 1S/C14H11NO2/c16-14-15(12-7-2-1-3-8-12)13-9-5-4-6-11(13)10-17-14/h1-9H,10H2
- InChI Key： JOZFJYSDJQXFRK-UHFFFAOYSA-N
- SMILES： O1C(N(C2C=CC=CC=2)C2C=CC=CC=2C1)=O
Computed Properties
- Exact Mass: 225.078978594g/mol
- Monoisotopic Mass: 225.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 286
- 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: 29.5?2
1-phenyl-1,4-dihydro-2H-3,1-benzoxazin-2-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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