3-Fluoro-4-pyrrolidinobenzoic Acid - CAS 1021243-16-2

Catalog:	BB000783
Product Name:	3-Fluoro-4-pyrrolidinobenzoic Acid
CAS:	1021243-16-2
Synonyms:	3-fluoro-4-(1-pyrrolidinyl)benzoic acid; 3-fluoro-4-pyrrolidin-1-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-4-pyrrolidin-1-ylbenzoic acid
Description:	3-Fluoro-4-pyrrolidinobenzoic Acid (CAS# 1021243-16-2) is a useful research chemical.
Molecular Weight:	209.22
Molecular Formula:	C11H12FNO2
Canonical SMILES:	C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)F
InChI:	InChI=1S/C11H12FNO2/c12-9-7-8(11(14)15)3-4-10(9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:	HXPJLYBFMBIXKY-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.18910

Publication Number	Title	Priority Date
CA-3058111-A1	4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same	20170331
CN-110475775-A	4- pyridinone compounds or its salt, pharmaceutical composition and agent comprising 4- pyridinone compounds	20170331
EP-3604301-A1	4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same	20170331
JP-WO2018181883-A1	4-pyridone compound or salt thereof, pharmaceutical composition and agent containing the same	20170331
KR-20190122762-A	4-pyridone compound or salt thereof, pharmaceutical composition comprising the same and agent	20170331

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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:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.08520679
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.08520679
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2