Cas no 31329-63-2 (Isoxazole,4-iodo-5-phenyl-)
Isoxazole,4-iodo-5-phenyl- structure
Product Name:Isoxazole,4-iodo-5-phenyl-
CAS No:31329-63-2
MF:C9H6INO
MW:271.054514408112
CID:298633
PubChem ID:29946202
Update Time:2025-04-19
Isoxazole,4-iodo-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,4-iodo-5-phenyl-
- 4-IODO-5-PHENYLISOXAZOLE
- 4-iodo-5-phenyl-1,2-oxazole
- 31329-63-2
- DTXSID70652378
-
- Inchi： 1S/C9H6INO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
- InChI Key： WOXIDHXRACCFIT-UHFFFAOYSA-N
- SMILES： IC1C=NOC=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 270.94898
- Monoisotopic Mass: 270.94941g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 148
- 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: 2.7
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole,4-iodo-5-phenyl- Related Literature
-
Wen Yang,Yongqi Yao,Xin Yang,Yingying Deng,Qifu Lin,Dingqiao Yang RSC Adv. 2019 9 8894
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