2-(3-Chlorophenyl)pyrrole - CAS 115464-89-6

Catalog:	BB003567
Product Name:	2-(3-Chlorophenyl)pyrrole
CAS:	115464-89-6
Synonyms:	2-(3-chlorophenyl)-1H-pyrrole; 2-(3-chlorophenyl)-1H-pyrrole

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3-chlorophenyl)-1H-pyrrole
Description:	2-(3-Chlorophenyl)pyrrole (CAS# 115464-89-6 ) is a useful research chemical.
Molecular Weight:	177.63
Molecular Formula:	C10H8ClN
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C2=CC=CN2
InChI:	InChI=1S/C10H8ClN/c11-9-4-1-3-8(7-9)10-5-2-6-12-10/h1-7,12H
InChI Key:	HOXQAKYIVLKWTB-UHFFFAOYSA-N
LogP:	3.33510

Publication Number	Title	Priority Date
US-2020071271-A1	Grp94 selective inhibitors and uses thereof	20161031
WO-2018081814-A1	Grp94 selective inhibitors and uses thereof	20161031
US-10975030-B2	Grp94 selective inhibitors and uses thereof	20161031
TW-201731843-A	6-Heterocyclyl-4-xomorpho-4-yl-arylpyridine-2-one compound	20160219
CN-105764514-B	Aminopyrazole derivatives as TAM race kinase inhibitor	20131127

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Related Functional Groups

Pyrroles

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[1894030-28-4]
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N-Allylmaleimide
[17106-15-9]
5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
[73286-70-1]
N-Boc-2,5-dihydro-1H-pyrrole

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.034527
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.034527
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3