2-Chloro-4-pyrrolidinobenzoic Acid - CAS 192513-60-3

Catalog:	BB014889
Product Name:	2-Chloro-4-pyrrolidinobenzoic Acid
CAS:	192513-60-3
Synonyms:	2-chloro-4-(1-pyrrolidinyl)benzoic acid; 2-chloro-4-pyrrolidin-1-ylbenzoic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-pyrrolidin-1-ylbenzoic acid
Description:	2-Chloro-4-pyrrolidinobenzoic Acid (CAS# 192513-60-3) is a useful research chemical.
Molecular Weight:	225.67
Molecular Formula:	C11H12ClNO2
Canonical SMILES:	C1CCN(C1)C2=CC(=C(C=C2)C(=O)O)Cl
InChI:	InChI=1S/C11H12ClNO2/c12-10-7-8(13-5-1-2-6-13)3-4-9(10)11(14)15/h3-4,7H,1-2,5-6H2,(H,14,15)
InChI Key:	QMZLYZCZDQIOIL-UHFFFAOYSA-N
MDL:	MFCD03001210
LogP:	2.70340

Publication Number	Title	Priority Date
CN-111247129-A	Piperazine derivatives as MAGL inhibitors	20171010
TW-201922728-A	Novel heterocyclic compounds	20171010
WO-2019072785-A1	PIPERAZINE DERIVATIVES AS MAGL INHIBITORS	20171010
EP-3694840-A1	Piperazine derivatives as magl inhibitors	20171010
US-2020299277-A1	Piperazine derivatives as magl inhibitors	20171010

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea

Complexity:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	225.0556563
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	225.0556563
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8