Cas no 651021-71-5 (Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-)
![Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl- structure](https://ossimg.kuujia.com/scimg/651500/651021-71-5x500.png)
651021-71-5 structure
Product Name:Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-
CAS No:651021-71-5
MF:C16H12BrNO2
MW:330.175983428955
CID:407910
PubChem ID:403647
Update Time:2025-04-19
Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-
- 6-[5-(3-bromophenyl)-1,2-oxazol-3-ylidene]-4-methylcyclohexa-2,4-dien-1-one
- DTXSID00420224
- NCI60_040899
- 651021-71-5
- CHEMBL1979533
- NSC718715
- NSC-718715
-
- Inchi： 1S/C16H12BrNO2/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： CTVJQAGJMUYAOF-UHFFFAOYSA-N
- SMILES： BrC1=CC=CC(=C1)C1=CC(C2C(=CC=C(C)C=2)O)=NO1
Computed Properties
- Exact Mass: 329.00516
- Monoisotopic Mass: 329.00514g/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: 4.4
- Topological Polar Surface Area: 46.3?2
Experimental Properties
- PSA: 46.26
Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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