Cas no 663933-99-1 (7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid)
663933-99-1 structure
Product Name:7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid
CAS No:663933-99-1
MF:C8H3BrF2O4
MW:281.007828950882
CID:2180331
PubChem ID:11265996
Update Time:2025-04-21
7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid
- 7-BROMO-2,2-DIFLUORO-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
- DB-253599
- 7-Bromo-2,2-difluorobenzo [d][1,3]dioxole-4-carboxylic acid
- 663933-99-1
- AKOS024263241
- SCHEMBL978092
- 7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylicacid
-
- Inchi: 1S/C8H3BrF2O4/c9-4-2-1-3(7(12)13)5-6(4)15-8(10,11)14-5/h1-2H,(H,12,13)
- InChI Key: FJCZRNAZJNVYSW-UHFFFAOYSA-N
- SMILES: BrC1=CC=C(C(=O)O)C2=C1OC(O2)(F)F
Computed Properties
- Exact Mass: 279.91828Da
- Monoisotopic Mass: 279.91828Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 286
- 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: 2.7
- Topological Polar Surface Area: 55.8?2
7-Bromo-2,2-difluorobenzo[d][1,3]dioxole-4-carboxylic acid Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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