Cas no 606940-27-6 (PHENOL, 3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-)
606940-27-6 structure
Product Name:PHENOL, 3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-
CAS No:606940-27-6
MF:C13H8F2O3
MW:250.197630882263
CID:3486944
PubChem ID:85868433
Update Time:2025-04-21
PHENOL, 3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)- Chemical and Physical Properties
Names and Identifiers
-
- PHENOL, 3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)-
- DTXSID501264153
- 3-(2,2-Difluoro-1,3-benzodioxol-5-yl)phenol
- 606940-27-6
-
- Inchi： 1S/C13H8F2O3/c14-13(15)17-11-5-4-9(7-12(11)18-13)8-2-1-3-10(16)6-8/h1-7,16H
- InChI Key： KPDJAIWWOTUTDY-UHFFFAOYSA-N
- SMILES： FC1(OC2C=CC(C3C=CC=C(C=3)O)=CC=2O1)F
Computed Properties
- Exact Mass: 250.04415044Da
- Monoisotopic Mass: 250.04415044Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 311
- 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: 3.8
- Topological Polar Surface Area: 38.7?2
PHENOL, 3-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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