Cas no 651021-80-6 (Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-4-methyl-)
![Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-4-methyl- structure](https://ossimg.kuujia.com/scimg/651500/651021-80-6x500.png)
651021-80-6 structure
Product Name:Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-4-methyl-
CAS No:651021-80-6
MF:C16H12ClNO2
MW:285.724983215332
CID:407901
PubChem ID:135493008
Update Time:2025-04-19
Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-4-methyl-
- 6-[5-(3-chlorophenyl)-1,2-oxazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one
- 6-[5-(3-Chlorophenyl)-1,2-oxazol-3(2H)-ylidene]-4-methylcyclohexa-2,4-dien-1-one
- DTXSID50799891
- 651021-80-6
-
- Inchi： 1S/C16H12ClNO2/c1-10-5-6-15(19)13(7-10)14-9-16(20-18-14)11-3-2-4-12(17)8-11/h2-9,19H,1H3
- InChI Key： MCKRAGLYOFNTMJ-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C1=CC(C2C(=CC=C(C)C=2)O)=NO1
Computed Properties
- Exact Mass: 285.05576
- Monoisotopic Mass: 285.0556563g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 328
- 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: 4.3
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26
Phenol, 2-[5-(3-chlorophenyl)-3-isoxazolyl]-4-methyl- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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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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