Cas no 651021-70-4 (Phenol, 4-[5-(3-bromophenyl)-3-isoxazolyl]-)
![Phenol, 4-[5-(3-bromophenyl)-3-isoxazolyl]- structure](https://ossimg.kuujia.com/scimg/651500/651021-70-4x500.png)
651021-70-4 structure
Product Name:Phenol, 4-[5-(3-bromophenyl)-3-isoxazolyl]-
CAS No:651021-70-4
MF:C15H10BrNO2
MW:316.149403095245
CID:407911
PubChem ID:135490863
Update Time:2025-04-19
Phenol, 4-[5-(3-bromophenyl)-3-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[5-(3-bromophenyl)-3-isoxazolyl]-
- 4-[5-(3-bromophenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one
- 651021-70-4
- DTXSID90451461
-
- Inchi： 1S/C15H10BrNO2/c16-12-3-1-2-11(8-12)15-9-14(17-19-15)10-4-6-13(18)7-5-10/h1-9,18H
- InChI Key： AVHPKIDVHBQQGJ-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C1=CC(C2C=CC(=CC=2)O)=NO1
Computed Properties
- Exact Mass: 314.9895
- Monoisotopic Mass: 314.98949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 294
- 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, 4-[5-(3-bromophenyl)-3-isoxazolyl]- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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