Cas no 819800-70-9 (2H-1,5-Benzodioxepin-6-carboxylic acid, 8-fluoro-3,4-dihydro-)
819800-70-9 structure
Product Name:2H-1,5-Benzodioxepin-6-carboxylic acid, 8-fluoro-3,4-dihydro-
CAS No:819800-70-9
MF:C10H9FO4
MW:212.174466848373
CID:702412
PubChem ID:57588249
Update Time:2025-04-19
2H-1,5-Benzodioxepin-6-carboxylic acid, 8-fluoro-3,4-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1,5-Benzodioxepin-6-carboxylic acid, 8-fluoro-3,4-dihydro-
- 8-fluoro-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid
- SCHEMBL13315470
- 819800-70-9
- DTXSID80727223
-
- Inchi： 1S/C10H9FO4/c11-6-4-7(10(12)13)9-8(5-6)14-2-1-3-15-9/h4-5H,1-3H2,(H,12,13)
- InChI Key： YKUNSLMPCUJSKT-UHFFFAOYSA-N
- SMILES： FC1C=C(C(=O)O)C2=C(C=1)OCCCO2
Computed Properties
- Exact Mass: 212.04848693g/mol
- Monoisotopic Mass: 212.04848693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 246
- 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: 1.6
- Topological Polar Surface Area: 55.8?2
2H-1,5-Benzodioxepin-6-carboxylic acid, 8-fluoro-3,4-dihydro- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
819800-70-9 (2H-1,5-Benzodioxepin-6-carboxylic acid, 8-fluoro-3,4-dihydro-) Related Products
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