4-Chloro-2-hydrazinylphenol - CAS 23274-86-4

Technical Data

IUPAC Name:	4-chloro-2-hydrazinylphenol
Description:	4-Chloro-2-hydrazinylphenol is derived from 2-Amino-4-chlorophenol (A603275), which is a widely used reagent in the synthesis of various drugs, dyes and pesticides. A reagent in the synthesis of aggrecanase-2 inhibitors based on acylthiosemicarbazide zinc-binding, used in the treatment of osteoarthritis.
Molecular Weight:	158.59
Molecular Formula:	C6H7ClN2O
Canonical SMILES:	C1=CC(=C(C=C1Cl)NN)O
InChI:	InChI=1S/C6H7ClN2O/c7-4-1-2-6(10)5(3-4)9-8/h1-3,9-10H,8H2
InChI Key:	ZOGPTJMMIFDHIF-UHFFFAOYSA-N
References:	Arora, P. et al. Microb. Cell Fact., 11, 150 (2012); Maingot, L. et al. Eur. J. Med. CHem., 69, 244 (2013).

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.0246905
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	158.0246905
Rotatable Bond Count:	1
Topological Polar Surface Area:	58.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2