1,8-Dichloroisoquinoline - CAS 848841-64-5

Catalog:	BB037349
Product Name:	1,8-Dichloroisoquinoline
CAS:	848841-64-5
Synonyms:	1,8-dichloroisoquinoline; 1,8-dichloroisoquinoline

Technical Data

Patents

Computed Properties

IUPAC Name:	1,8-dichloroisoquinoline
Description:	1,8-Dichloroisoquinoline (CAS# 848841-64-5) is a useful research chemical.
Molecular Weight:	198.05
Molecular Formula:	C9H5Cl2N
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)C(=NC=C2)Cl
InChI:	InChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-12-9(11)8(6)7/h1-5H
InChI Key:	SPANHWVVFLSTMH-UHFFFAOYSA-N
LogP:	3.54160

Publication Number	Title	Priority Date
CN-105121427-A	Pyridinyl and fused pyridinyl triazolone derivatives	20130311
AU-2004274173-A1	1,4-disubstituted isoquinilone derivatives as RAF-kinase inhibitors useful for the treatment of proliferative diseases	20030924
CA-2538855-A1	1,4-disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases	20030924
EP-1667980-A1	1,4-disubstituted isoquinoline derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases	20030924
JP-2007506696-A	1,4-Disubstituted isoquinoline derivatives as RAF-kinase inhibitors useful in the treatment of proliferative diseases	20030924

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Related Functional Groups

Quinoline/Isoquinoline

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[948291-36-9]
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[91092-92-1]
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[938001-63-9]
9-Chloro-1-methyl-5,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]quinoline
[1031928-21-8]
2-Chloro-7,8-dimethyl-3-phenylquinoline

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9799046
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.9799046
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7