Cas no 900175-51-1 (Phenol, 4-fluoro-2-methyl-, carbonate (2:1))
900175-51-1 structure
Product Name:Phenol, 4-fluoro-2-methyl-, carbonate (2:1)
CAS No:900175-51-1
MF:C15H16F2O5
MW:314.281352043152
CID:796357
PubChem ID:71430675
Update Time:2025-04-19
Phenol, 4-fluoro-2-methyl-, carbonate (2:1) Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-fluoro-2-methyl-, carbonate (2:1)
- carbonic acid,4-fluoro-2-methylphenol
- DTXSID30849287
- C15H16F2O5
- Carbonic acid--4-fluoro-2-methylphenol (1/2)
- 900175-51-1
- carbonic acid;4-fluoro-2-methylphenol
-
- Inchi： 1S/2C7H7FO.CH2O3/c2*1-5-4-6(8)2-3-7(5)9;2-1(3)4/h2*2-4,9H,1H3;(H2,2,3,4)
- InChI Key： PACFWGNXHVUZOR-UHFFFAOYSA-N
- SMILES： FC1C=CC(=C(C)C=1)O.FC1C=CC(=C(C)C=1)O.OC(=O)O
Computed Properties
- Exact Mass: 314.09657993g/mol
- Monoisotopic Mass: 314.09657993g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 121
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 98?2
Phenol, 4-fluoro-2-methyl-, carbonate (2:1) Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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