Cas no 123574-95-8 (1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl-)
123574-95-8 structure
Product Name:1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl-
CAS No:123574-95-8
MF:C13H8ClNO2
MW:245.661122322083
CID:1215837
PubChem ID:135519052
Update Time:2025-04-20
1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl-
- 5-chloro-3-phenyl-2H-1,2-benzoxazol-6-one
- 5-CHLORO-3-PHENYL-1,2-BENZOXAZOL-6-OL
- 123574-95-8
- 5-Chloro-3-phenylbenzo[d]isoxazol-6-ol
- DTXSID60448909
-
- Inchi： 1S/C13H8ClNO2/c14-10-6-9-12(7-11(10)16)17-15-13(9)8-4-2-1-3-5-8/h1-7,16H
- InChI Key： DWWHUUYHFFNPKV-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)C(C1C=CC=CC=1)=NO2)O
Computed Properties
- Exact Mass: 245.02444
- Monoisotopic Mass: 245.0243562g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 270
- 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: 3.6
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26
1,2-Benzisoxazol-6-ol, 5-chloro-3-phenyl- Related Literature
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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