Cas no 651021-78-2 (Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-)
![Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/651500/651021-78-2x500.png)
651021-78-2 structure
Product Name:Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-
CAS No:651021-78-2
MF:C15H10ClNO2
MW:271.698402881622
CID:407903
PubChem ID:135509404
Update Time:2025-04-19
Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-
- 6-[5-(3-chlorophenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,4-dien-1-one
- 651021-78-2
- DTXSID10799892
- 6-[5-(3-Chlorophenyl)-1,2-oxazol-3(2H)-ylidene]cyclohexa-2,4-dien-1-one
-
- Inchi： 1S/C15H10ClNO2/c16-11-5-3-4-10(8-11)15-9-13(17-19-15)12-6-1-2-7-14(12)18/h1-9,18H
- InChI Key： MPEXIKFMHSAUMM-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C1=CC(C2C=CC=CC=2O)=NO1
Computed Properties
- Exact Mass: 271.0401
- 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: 302
- 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
Experimental Properties
- PSA: 46.26
Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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