2-Amino-3,6-difluorobenzonitrile - CAS 190011-81-5
Catalog: |
BB014690 |
Product Name: |
2-Amino-3,6-difluorobenzonitrile |
CAS: |
190011-81-5 |
Synonyms: |
2-amino-3,6-difluorobenzonitrile |
IUPAC Name: | 2-amino-3,6-difluorobenzonitrile |
Description: | 2-Amino-3,6-difluorobenzonitrile (CAS# 190011-81-5 ) is a useful research chemical. |
Molecular Weight: | 154.12 |
Molecular Formula: | C7H4F2N2 |
Canonical SMILES: | C1=CC(=C(C(=C1F)C#N)N)F |
InChI: | InChI=1S/C7H4F2N2/c8-5-1-2-6(9)7(11)4(5)3-10/h1-2H,11H2 |
InChI Key: | ZPQFHGOBMGGBEP-UHFFFAOYSA-N |
LogP: | 1.99988 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020407344-A1 | Compounds for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2020261156-A1 | Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2012118492-A1 | Heterocyclic sulfonamides as raf inhibitors | 20110301 |
CA-2772071-A1 | Raf inhibitor compounds and methods of use thereof | 20090828 |
EP-2493865-A2 | Raf inhibitor compounds and methods of use thereof | 20090828 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03425446 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03425446 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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