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3-Chloro-7H-pyrrolo[2,3-c]pyridazine

3-Chloro-7H-pyrrolo[2,3-c]pyridazine - CAS 1207625-18-0

Name: 3-Chloro-7H-pyrrolo[2,3-c]pyridazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB004968
Product Name:	3-Chloro-7H-pyrrolo[2,3-c]pyridazine
CAS:	1207625-18-0
Synonyms:	3-chloro-7H-pyrrolo[2,3-c]pyridazine; 3-chloro-7H-pyrrolo[2,3-c]pyridazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-7H-pyrrolo[2,3-c]pyridazine
Description:	3-Chloro-7H-pyrrolo[2,3-c]pyridazine (CAS# 1207625-18-0) is a useful research chemical.
Molecular Weight:	153.57
Molecular Formula:	C6H4ClN3
Canonical SMILES:	C1=CNC2=NN=C(C=C21)Cl
InChI:	InChI=1S/C6H4ClN3/c7-5-3-4-1-2-8-6(4)10-9-5/h1-3H,(H,8,10)
InChI Key:	ABZZOKSFQKTLHJ-UHFFFAOYSA-N
LogP:	1.61130

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Related Functional Groups

Halides

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
WO-2020251974-A1	Smarca inhibitors and uses thereof	20190610
US-2020354345-A1	Modulators of thr-beta and methods of use thereof	20190508
WO-2020227549-A1	MODULATORS OF THR-Î² AND METHODS OF USE THEREOF	20190508
US-11091467-B2	Modulators of THR-Î² and methods of use thereof	20190508

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0093748
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.0093748
Rotatable Bond Count:	0
Topological Polar Surface Area:	41.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3