Cas no 90276-18-9 (Phenol, 4-chloro-2-(5-phenyl-3-isoxazolyl)-)
90276-18-9 structure
Product Name:Phenol, 4-chloro-2-(5-phenyl-3-isoxazolyl)-
CAS No:90276-18-9
MF:C15H10ClNO2
MW:271.698402881622
CID:790447
PubChem ID:136275342
Update Time:2025-04-19
Phenol, 4-chloro-2-(5-phenyl-3-isoxazolyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-chloro-2-(5-phenyl-3-isoxazolyl)-
- 4-chloro-6-(5-phenyl-1,2-oxazol-3-ylidene)cyclohexa-2,4-dien-1-one
- DTXSID80848149
- 90276-18-9
- 4-Chloro-6-(5-phenyl-1,2-oxazol-3(2H)-ylidene)cyclohexa-2,4-dien-1-one
-
- Inchi： 1S/C15H10ClNO2/c16-11-6-7-14(18)12(8-11)13-9-15(19-17-13)10-4-2-1-3-5-10/h1-9,18H
- InChI Key： NCHFMINFTQTXRU-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=C(C=1)C1C=C(C2C=CC=CC=2)ON=1)O
Computed Properties
- Exact Mass: 271.0400063g/mol
- Monoisotopic Mass: 271.0400063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 296
- 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: 4
- Topological Polar Surface Area: 46.3?2
Phenol, 4-chloro-2-(5-phenyl-3-isoxazolyl)- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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