6-Amino-3-bromo-2-fluorobenzonitrile - CAS 845866-92-4
Catalog: |
BB037253 |
Product Name: |
6-Amino-3-bromo-2-fluorobenzonitrile |
CAS: |
845866-92-4 |
Synonyms: |
6-amino-3-bromo-2-fluorobenzonitrile; 6-amino-3-bromo-2-fluorobenzonitrile |
IUPAC Name: | 6-amino-3-bromo-2-fluorobenzonitrile |
Description: | 6-Amino-3-bromo-2-fluorobenzonitrile (CAS# 845866-92-4) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 215.02 |
Molecular Formula: | C7H4BrFN2 |
Canonical SMILES: | C1=CC(=C(C(=C1N)C#N)F)Br |
InChI: | InChI=1S/C7H4BrFN2/c8-5-1-2-6(11)4(3-10)7(5)9/h1-2H,11H2 |
InChI Key: | GGJQZVKWAKHTLK-UHFFFAOYSA-N |
Appearance: | Purple powder |
LogP: | 2.62328 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021096948-A1 | Allosteric egfr inhibitors and methods of use thereof | 20191111 |
TW-201204727-A | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20100310 |
WO-2011112731-A2 | Heterocyclic inhibitors of histamine receptors for the treatment of disease | 20100310 |
CA-2780922-A1 | 7-aminofuropyridine derivatives | 20100211 |
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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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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