5-Fluoro-2-piperazinobenzoic Acid - CAS 1197193-39-7

Catalog:	BB004612
Product Name:	5-Fluoro-2-piperazinobenzoic Acid
CAS:	1197193-39-7
Synonyms:	5-fluoro-2-(1-piperazinyl)benzoic acid; 5-fluoro-2-piperazin-1-ylbenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	5-fluoro-2-piperazin-1-ylbenzoic acid
Description:	5-Fluoro-2-piperazinobenzoic Acid (CAS# 1197193-39-7) is a useful research chemical.
Molecular Weight:	224.23
Molecular Formula:	C11H13FN2O2
Canonical SMILES:	C1CN(CCN1)C2=C(C=C(C=C2)F)C(=O)O
InChI:	InChI=1S/C11H13FN2O2/c12-8-1-2-10(9(7-8)11(15)16)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16)
InChI Key:	YFHIYLRCMPTEGK-UHFFFAOYSA-N
LogP:	1.32730

Publication Number	Title	Priority Date
WO-2021124172-A1	3-(5-methoxy-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof	20191218
EP-3538091-A1	PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF	20161108
US-10414727-B2	Phenyl amino piperidine mTORC inhibitors and uses thereof	20161108
US-2018127370-A1	PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF	20161108
US-2020207716-A1	PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF	20161108

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Related Functional Groups

Carbonyl Compounds

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[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
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[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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MG-132

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	256
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.09610582
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	224.09610582
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.3