Cas no 651021-79-3 (Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]-)
651021-79-3 structure
Product Name:Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]-
CAS No:651021-79-3
MF:C15H10ClNO2
MW:271.698402881622
CID:407902
PubChem ID:135442255
Update Time:2025-04-19
Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-[5-(3-chlorophenyl)-3-isoxazolyl]-
- 4-[5-(3-chlorophenyl)-1,2-oxazol-3-ylidene]cyclohexa-2,5-dien-1-one
- DTXSID80447373
- 651021-79-3
-
- Inchi: 1S/C15H10ClNO2/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: KJRZUFZLXSBADK-UHFFFAOYSA-N
- SMILES: ClC1=CC=CC(=C1)C1=CC(C2C=CC(=CC=2)O)=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: 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-chlorophenyl)-3-isoxazolyl]- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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