4-(1H-Pyrrol-1-yl)benzoic acid - CAS 22106-33-8

Catalog:	BB017381
Product Name:	4-(1H-Pyrrol-1-yl)benzoic acid
CAS:	22106-33-8
Synonyms:	4-pyrrol-1-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	4-pyrrol-1-ylbenzoic acid
Description:	4-(1H-Pyrrol-1-yl)benzoic acid (CAS# 22106-33-8) is a useful research chemical.
Molecular Weight:	187.19
Molecular Formula:	C11H9NO2
Canonical SMILES:	C1=CN(C=C1)C2=CC=C(C=C2)C(=O)O
InChI:	InChI=1S/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14)
InChI Key:	NLSIIPKSANRIGS-UHFFFAOYSA-N
Boiling Point:	355.5 °C at 760 mmHg
Density:	1.18 g/cm³
MDL:	MFCD00082569
LogP:	2.17550

Publication Number	Title	Priority Date
CN-111018691-A	Green synthesis method of aromatic acid	20191120
EP-3634907-A1	Modified nanostructured carbon matrix, containing such a matrix system and including such system biosensor and a method for the determination of an analyte in a sample using such biosensor system as well as the application of a pyrrole benzoic acid derivative for the modification of the nanostructured carbon matrix	20170606
WO-2018224980-A1	Modified nanostructured carbon matrix, containing such a matrix system and including such system biosensor and a method for the determination of an analyte in a sample using such biosensor system as well as the application of a pyrrole benzoic acid derivative for the modification of the nanostructured carbon matrix	20170606
EP-3634907-B1	Modified nanostructured carbon matrix, containing such a matrix system and including such system biosensor and a method for the determination of an analyte in a sample using such biosensor system as well as the application of a pyrrole benzoic acid derivative for the modification of the nanostructured carbon matrix	20170606
EP-3319961-A1	N-hydroxyformamide compounds and compositions comprising them for use as bmp1, tll1 and/or tll2 inhibitors	20150709

PMID	Publication Date	Title	Journal
19053778	20081225	Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41	Journal of medicinal chemistry
18207286	20080901	Synthesis of new 4-pyrrol-1-yl benzoic acid hydrazide analogs and some derived oxadiazole, triazole and pyrrole ring systems: a novel class of potential antibacterial and antitubercular agents	European journal of medicinal chemistry
18226912	20080315	Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors	Bioorganic & medicinal chemistry
17289445	20070901	Hybrid bioelectrocatalyst for hydrogen peroxide reduction: immobilization of enzyme within organic-inorganic film of structured Prussian Blue and PEDOT	Bioelectrochemistry (Amsterdam, Netherlands)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.063328530
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	187.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6