Cas no 88339-57-5 (Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl-)
88339-57-5 structure
Product Name:Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl-
CAS No:88339-57-5
MF:C11H12F2O2
MW:214.208590507507
CID:636594
PubChem ID:71408992
Update Time:2025-04-19
Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl-
- 3-(difluoromethoxy)-2,4,6-trimethylbenzaldehyde
- DTXSID80828764
- 88339-57-5
-
- Inchi： 1S/C11H12F2O2/c1-6-4-7(2)10(15-11(12)13)8(3)9(6)5-14/h4-5,11H,1-3H3
- InChI Key： DECCKJQCGJUIGJ-UHFFFAOYSA-N
- SMILES： FC(OC1=C(C)C=C(C)C(C=O)=C1C)F
Computed Properties
- Exact Mass: 214.08053595g/mol
- Monoisotopic Mass: 214.08053595g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 221
- 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: 3.4
- Topological Polar Surface Area: 26.3?2
Benzaldehyde, 3-(difluoromethoxy)-2,4,6-trimethyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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