5-bromo-6-chloro-2,2-difluoro-2H-1,3-benzodioxole - CAS 869188-52-3
Catalog: |
BB038123 |
Product Name: |
5-bromo-6-chloro-2,2-difluoro-2H-1,3-benzodioxole |
CAS: |
869188-52-3 |
Synonyms: |
5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole; 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole |
IUPAC Name: | 5-bromo-6-chloro-2,2-difluoro-1,3-benzodioxole |
Description: | 5-bromo-6-chloro-2,2-difluoro-2H-1,3-benzodioxole (CAS# 869188-52-3) is an intermediate used to prepare aryl and heterocyclic carboxamide compounds as therapeutic modulators of intracellular calcium. |
Molecular Weight: | 271.442 |
Molecular Formula: | C7H2BrClF2O2 |
Canonical SMILES: | C1=C2C(=CC(=C1Cl)Br)OC(O2)(F)F |
InChI: | InChI=1S/C7H2BrClF2O2/c8-3-1-5-6(2-4(3)9)13-7(10,11)12-5/h1-2H |
InChI Key: | XTQZJIDYGRBKKT-UHFFFAOYSA-N |
LogP: | 3.42400 |
Publication Number | Title | Priority Date |
WO-2020227312-A1 | Synthesis of crac channel inhibitors | 20190506 |
BR-112020008343-A2 | pyridine and pyrimidine carboxylate herbicides and methods of using them | 20171027 |
KR-20200070354-A | Pyridine and pyrimidine carboxylate herbicides, and methods of using them | 20171027 |
JP-2021501153-A | Pyridine carboxylate herbicides and pyrimidine carboxylate herbicides, and how to use them | 20171027 |
AU-2018268311-A1 | Pyrimidine derivatives as PGE2 receptor modulators | 20170518 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.88948 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.88948 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 18.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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