5-Amino-4-bromo-2-fluorobenzonitrile - CAS 893615-28-6
Catalog: |
BB039442 |
Product Name: |
5-Amino-4-bromo-2-fluorobenzonitrile |
CAS: |
893615-28-6 |
Synonyms: |
5-amino-4-bromo-2-fluorobenzonitrile; 5-amino-4-bromo-2-fluorobenzonitrile |
IUPAC Name: | 5-amino-4-bromo-2-fluorobenzonitrile |
Description: | 5-Amino-4-bromo-2-fluorobenzonitrile (CAS# 893615-28-6) is a useful research chemical. |
Molecular Weight: | 215.02 |
Molecular Formula: | C7H4BrFN2 |
Canonical SMILES: | C1=C(C(=CC(=C1N)Br)F)C#N |
InChI: | InChI=1S/C7H4BrFN2/c8-5-2-6(9)4(3-10)1-7(5)11/h1-2H,11H2 |
InChI Key: | OEUSZURPQIOSCD-UHFFFAOYSA-N |
LogP: | 2.62328 |
Publication Number | Title | Priority Date |
WO-2021094763-A1 | Erap1 modulators | 20191114 |
WO-2020225569-A1 | Phenyl-sulfamoyl.benzoyc acids as erap1 modulators | 20190509 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.95419 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.95419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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