3-Chloro-5-(trifluoromethyl)pyridazine - CAS 845617-99-4

Catalog:	BB037238
Product Name:	3-Chloro-5-(trifluoromethyl)pyridazine
CAS:	845617-99-4
Synonyms:	3-chloro-5-(trifluoromethyl)pyridazine; 3-chloro-5-(trifluoromethyl)pyridazine

Technical Data

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Computed Properties

IUPAC Name:	3-chloro-5-(trifluoromethyl)pyridazine
Description:	3-Chloro-5-(trifluoromethyl)pyridazine (CAS# 845617-99-4 ) is a useful research chemical.
Molecular Weight:	182.53
Molecular Formula:	C5H2ClF3N2
Canonical SMILES:	C1=C(C=NN=C1Cl)C(F)(F)F
InChI:	InChI=1S/C5H2ClF3N2/c6-4-1-3(2-10-11-4)5(7,8)9/h1-2H
InChI Key:	GEFXHRCGAYIERB-UHFFFAOYSA-N
LogP:	2.14880

Publication Number	Title	Priority Date
WO-2019166824-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
CN-112004814-A	Oxadiazolyl thiophene derivatives useful as inhibitors of histone deacetylase	20180301
EP-3759106-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-2021038607-A1	Oxadiazolylthiophene derivatives useful as histone deacetylase inhibitors	20180301
US-2017008877-A1	Bicyclic lactams and methods of use thereof	20150702

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.9858603
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.9858603
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7