4-Amino-2-chloro-5-fluorobenzonitrile - CAS 1228376-68-8
Catalog: |
BB005532 |
Product Name: |
4-Amino-2-chloro-5-fluorobenzonitrile |
CAS: |
1228376-68-8 |
Synonyms: |
4-amino-2-chloro-5-fluorobenzonitrile; 4-amino-2-chloro-5-fluorobenzonitrile |
IUPAC Name: | 4-amino-2-chloro-5-fluorobenzonitrile |
Description: | 4-Amino-2-chloro-5-fluorobenzonitrile (CAS# 1228376-68-8 ) is a useful research chemical. |
Molecular Weight: | 170.57 |
Molecular Formula: | C7H4ClFN2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)N)Cl)C#N |
InChI: | InChI=1S/C7H4ClFN2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-2H,11H2 |
InChI Key: | TYJHYNUQJBQPQF-UHFFFAOYSA-N |
Appearance: | Solid |
LogP: | 2.51418 |
Publication Number | Title | Priority Date |
WO-2017004609-A1 | Thiadiazole modulators of s1p and methods of making and using | 20150702 |
CA-2970062-A1 | Alpha-d-galactoside inhibitors of galectins | 20150130 |
EP-3250581-A1 | Alpha-d-galactoside inhibitors of galectins | 20150130 |
JP-2018503660-A | Novel galactoside inhibitors of galectins | 20150130 |
US-10526360-B2 | Galactoside inhibitor of galectins | 20150130 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.004704 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.004704 |
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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Amines and Anilines
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