3-(pyrrolidin-2-yl)benzoic acid hydrochloride

3-(pyrrolidin-2-yl)benzoic acid hydrochloride

Formula: C11H14ClNO2

SMILES: Cl.OC(=O)C1=CC=CC(=C1)C1CCCN1

IUPAC: 3-(pyrrolidin-2-yl)benzoic acid hydrochloride

InChI: InChI=1/C11H13NO2.ClH/c13-11(14)9-4-1-3-8(7-9)10-5-2-6-12-10;/h1,3-4,7,10,12H,2,5-6H2,(H,13,14);1H

Composition: C (58.03%), H (6.20%), Cl (15.57%), N (6.15%), O (14.05%)

Molar Mass: 227.69

Atom Count: 29

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	227.0713064
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PVVCFTFXCAGXRM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.77
Topological Polar Surface Area	49.33
Polarizability	20.81
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C11H14ClNO2		Quote Only