2-Bromo-4-chloro-3-fluorobenzonitrile - CAS 1430115-47-1
Catalog: |
BB009486 |
Product Name: |
2-Bromo-4-chloro-3-fluorobenzonitrile |
CAS: |
1430115-47-1 |
Synonyms: |
2-bromo-4-chloro-3-fluorobenzonitrile; 2-bromo-4-chloro-3-fluorobenzonitrile |
IUPAC Name: | 2-bromo-4-chloro-3-fluorobenzonitrile |
Description: | 2-Bromo-4-chloro-3-fluorobenzonitrile (CAS# 1430115-47-1 ) is a useful research chemical. |
Molecular Weight: | 234.45 |
Molecular Formula: | C7H2BrClFN |
Canonical SMILES: | C1=CC(=C(C(=C1C#N)Br)F)Cl |
InChI: | InChI=1S/C7H2BrClFN/c8-6-4(3-11)1-2-5(9)7(6)10/h1-2H |
InChI Key: | RZFIPXFHCDUXHO-UHFFFAOYSA-N |
LogP: | 3.11328 |
Publication Number | Title | Priority Date |
AU-2015267305-A1 | Factor XIa inhibitors | 20140528 |
CA-2947987-A1 | Factor xia inhibitors | 20140528 |
EP-3148542-A1 | Factor xia inhibitors | 20140528 |
EP-3148542-B1 | Factor xia inhibitors | 20140528 |
JP-2017517512-A | Factor XIA inhibitor | 20140528 |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.90432 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.90432 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 23.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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