Cas no 625825-66-3 (Oxazole, 4-(chloromethyl)-2-(2-methylphenyl)-)
625825-66-3 structure
Product Name:Oxazole, 4-(chloromethyl)-2-(2-methylphenyl)-
CAS No:625825-66-3
MF:C11H10ClNO
MW:207.656201839447
CID:1638721
PubChem ID:22337834
Update Time:2025-04-21
Oxazole, 4-(chloromethyl)-2-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 4-(chloromethyl)-2-(2-methylphenyl)-
- 625825-66-3
- AB63769
- JRNYDWOYNWDJJX-UHFFFAOYSA-N
- 2-o-tolyl-4-Chloromethyloxazole
- 4-(Chloromethyl)-2-(2-methylphenyl)oxazole
- SCHEMBL6487009
- 4-(CHLOROMETHYL)-2-(2-METHYLPHENYL)-1,3-OXAZOLE
- DB-152822
- 4-(chloromethyl)-2-(o-tolyl)oxazole
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- Inchi: 1S/C11H10ClNO/c1-8-4-2-3-5-10(8)11-13-9(6-12)7-14-11/h2-5,7H,6H2,1H3
- InChI Key: JRNYDWOYNWDJJX-UHFFFAOYSA-N
- SMILES: ClCC1=COC(C2C=CC=CC=2C)=N1
Computed Properties
- Exact Mass: 207.0452
- Monoisotopic Mass: 207.0450916g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 2.8
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Oxazole, 4-(chloromethyl)-2-(2-methylphenyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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