Cas no 531508-48-2 (1,3-BENZODIOXOLE-4-PROPANAMINE, 2,2-DIFLUORO-)
531508-48-2 structure
Product Name:1,3-BENZODIOXOLE-4-PROPANAMINE, 2,2-DIFLUORO-
CAS No:531508-48-2
MF:C10H11F2NO2
MW:215.19664978981
CID:3187010
PubChem ID:11020270
Update Time:2025-04-21
1,3-BENZODIOXOLE-4-PROPANAMINE, 2,2-DIFLUORO- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-BENZODIOXOLE-4-PROPANAMINE, 2,2-DIFLUORO-
- 2,2-Difluoro-1,3-benzodioxole-4-propanamine
- AKOS022925583
- DTXSID601263277
- 531508-48-2
-
- Inchi： 1S/C10H11F2NO2/c11-10(12)14-8-5-1-3-7(4-2-6-13)9(8)15-10/h1,3,5H,2,4,6,13H2
- InChI Key： BKVATAVFDKSOIV-UHFFFAOYSA-N
- SMILES： FC1(OC2=CC=CC(=C2O1)CCCN)F
Computed Properties
- Exact Mass: 215.07578492Da
- Monoisotopic Mass: 215.07578492Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 225
- 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: 2.2
- Topological Polar Surface Area: 44.5?2
1,3-BENZODIOXOLE-4-PROPANAMINE, 2,2-DIFLUORO- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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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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