Cas no 492444-18-5 (1,3-Benzodioxol-4-amine,6-fluoro-(9CI))
492444-18-5 structure
Product Name:1,3-Benzodioxol-4-amine,6-fluoro-(9CI)
CAS No:492444-18-5
MF:C7H6FNO2
MW:155.126445293427
CID:1017009
PubChem ID:17980586
Update Time:2024-02-29
1,3-Benzodioxol-4-amine,6-fluoro-(9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,3-Benzodioxol-4-amine,6-fluoro-(9CI)
- 1,3-Benzodioxol-4-amine, 6-fluoro-
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- Inchi： 1S/C7H6FNO2/c8-4-1-5(9)7-6(2-4)10-3-11-7/h1-2H,3,9H2
- InChI Key： QACJVDIJYMNCMV-UHFFFAOYSA-N
- SMILES： FC1C=C(C2=C(C=1)OCO2)N
Computed Properties
- Exact Mass: 155.03825660g/mol
- Monoisotopic Mass: 155.03825660g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 155
- 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: 1.2
- Topological Polar Surface Area: 44.5?2
1,3-Benzodioxol-4-amine,6-fluoro-(9CI) Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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