2-(4-Methylphenyl)pyrrole - CAS 62506-80-3

Catalog:	BB031625
Product Name:	2-(4-Methylphenyl)pyrrole
CAS:	62506-80-3
Synonyms:	2-(4-methylphenyl)-1H-pyrrole; 2-(4-methylphenyl)-1H-pyrrole

Technical Data

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Computed Properties

IUPAC Name:	2-(4-methylphenyl)-1H-pyrrole
Description:	2-(4-Methylphenyl)pyrrole (CAS# 62506-80-3 ) is a useful research chemical.
Molecular Weight:	157.21
Molecular Formula:	C11H11N
Canonical SMILES:	CC1=CC=C(C=C1)C2=CC=CN2
InChI:	InChI=1S/C11H11N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h2-8,12H,1H3
InChI Key:	PDICHLBXZGIZJW-UHFFFAOYSA-N
LogP:	2.99010

Publication Number	Title	Priority Date
CN-107793455-A	A kind of ring iridium (III) metal complex and its preparation method and application	20170927
CN-107573273-A	A kind of preparation method of three substitution, 3 cyanopyrrole analog derivatives	20170831
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

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Complexity:	136
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.089149355
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.089149355
Rotatable Bond Count:	1
Topological Polar Surface Area:	15.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2