1-Chloro-6-nitroisoquinoline - CAS 1367810-55-6

Catalog:	BB008408
Product Name:	1-Chloro-6-nitroisoquinoline
CAS:	1367810-55-6
Synonyms:	1-chloro-6-nitroisoquinoline; 1-chloro-6-nitroisoquinoline

Technical Data

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Computed Properties

IUPAC Name:	1-chloro-6-nitroisoquinoline
Description:	1-Chloro-6-nitroisoquinoline (CAS# 1367810-55-6) is a useful synthetic intermediate.
Molecular Weight:	208.60
Molecular Formula:	C9H5ClN2O2
Canonical SMILES:	C1=CC2=C(C=CN=C2Cl)C=C1[N+](=O)[O-]
InChI:	InChI=1S/C9H5ClN2O2/c10-9-8-2-1-7(12(13)14)5-6(8)3-4-11-9/h1-5H
InChI Key:	HYPKTFUVDWSWBZ-UHFFFAOYSA-N
LogP:	3.31960

Publication Number	Title	Priority Date
WO-2020140098-A1	Inhibitors of cyclin-dependent kinase 7 and uses thereof	20181228
WO-2020123925-A1	Pyrazolopyridine inhibitors of c-jun-n-terminal kinases and uses thereof	20181214
CN-113164477-A	Pyrazolopyridine inhibitors of C-JUN-N-terminal kinase and uses thereof	20181214
CN-105017152-A	Preparation method of 3-chloro(bromo)-6-nitroisoquinoline	20150717
CN-105017152-B	Preparation method of 3-chloro-6-nitroisoquinoline or 3-bromine-6-nitroisoquinoline	20150717

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Related Functional Groups

Quinoline/Isoquinoline

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[938001-63-9]
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[891782-60-8]
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[19490-87-0]
7-Methoxy-2-methylquinoline
[27356-52-1]
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[142425-92-1]
ethyl 4-aminoquinoline-2-carboxylate

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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

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	208.0039551
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	208.0039551
Rotatable Bond Count:	0
Topological Polar Surface Area:	58.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9