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

Technical Data

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:	61.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1