Cas no 885522-87-2 (3-BROMO-6-FLUORO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER)
885522-87-2 structure
Product Name:3-BROMO-6-FLUORO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER
CAS No:885522-87-2
MF:C9H6BrFN2O2
MW:273.058544635773
CID:3031158
PubChem ID:24728831
Update Time:2025-04-21
3-BROMO-6-FLUORO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER Chemical and Physical Properties
Names and Identifiers
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- 3-BROMO-6-FLUORO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER
- methyl 3-bromo-6-fluoro-2H-indazole-4-carboxylate
- Methyl 3-bromo-6-fluoro-1H-indazole-4-carboxylate
- 885522-87-2
-
- Inchi： 1S/C9H6BrFN2O2/c1-15-9(14)5-2-4(11)3-6-7(5)8(10)13-12-6/h2-3H,1H3,(H,12,13)
- InChI Key： TZSMIBHANRJPDA-UHFFFAOYSA-N
- SMILES： BrC1=C2C(C(=O)OC)=CC(=CC2=NN1)F
Computed Properties
- Exact Mass: 271.95967Da
- Monoisotopic Mass: 271.95967Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 266
- 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: 2.5
- Topological Polar Surface Area: 55?2
3-BROMO-6-FLUORO-4-INDAZOLECARBOXYLIC ACID METHYL ESTER Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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