5-Amino-2-chlorobenzonitrile - CAS 35747-58-1
Catalog: |
BB022750 |
Product Name: |
5-Amino-2-chlorobenzonitrile |
CAS: |
35747-58-1 |
Synonyms: |
5-amino-2-chlorobenzonitrile; 5-amino-2-chlorobenzonitrile |
IUPAC Name: | 5-amino-2-chlorobenzonitrile |
Description: | 5-Amino-2-chlorobenzonitrile (CAS# 35747-58-1) is a useful research reagent for organic synthesis and other chemical transformations. |
Molecular Weight: | 152.58 |
Molecular Formula: | C7H5ClN2 |
Canonical SMILES: | C1=CC(=C(C=C1N)C#N)Cl |
InChI: | InChI=1S/C7H5ClN2/c8-7-2-1-6(10)3-5(7)4-9/h1-3H,10H2 |
InChI Key: | VVDIMAMYKUTSCL-UHFFFAOYSA-N |
Boiling Point: | 339.15 °C at 760 mmHg |
Density: | 1.33 g/cm3 |
MDL: | MFCD00800459 |
LogP: | 2.37508 |
Publication Number | Title | Priority Date |
WO-2020123675-A1 | Compositions and methods for the treatment of cancer | 20181211 |
EP-3894392-A1 | Compositions and methods for the treatment of cancer | 20181211 |
WO-2020102574-A1 | The compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
WO-2020102576-A1 | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
TW-202033504-A | Compounds and compositions for treating conditions associated with nlrp activity | 20181116 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 152.0141259 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 152.0141259 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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