4-Chloro-2-hydrazinylbenzonitrile - CAS 1261105-28-5
Catalog: |
BB062531 |
Product Name: |
4-Chloro-2-hydrazinylbenzonitrile |
CAS: |
1261105-28-5 |
Synonyms: |
4-chloro-2-hydrazinylbenzonitrile |
IUPAC Name: | 4-chloro-2-hydrazinylbenzonitrile |
Description: | 4-Chloro-2-hydrazinylbenzonitrile is derived from 2-Amino-4-chlorobenzonitrile (A604325), which was used in the preparation of several organic compounds including that of amidato divalent lanthanide complexes which can be used as a catalyst in the formation of quinazoline-2,4(1H,3H)-diones from carbon dioxide and 2-aminobenzonitriles. |
Molecular Weight: | 167.6 |
Molecular Formula: | C7H6ClN3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)NN)C#N |
InChI: | InChI=1S/C7H6ClN3/c8-6-2-1-5(4-9)7(3-6)11-10/h1-3,11H,10H2 |
InChI Key: | PGADPANYOHBIRK-UHFFFAOYSA-N |
References: | Wang, Q., et al. Eur. J. Org. Chem., 14, 2555 (2016). |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.0250249 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.0250249 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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