2-(pyrrolidin-1-yl)benzoic acid hydrochloride

2-(pyrrolidin-1-yl)benzoic acid hydrochloride

CAS: 1855911-27-1

Formula: C11H14ClNO2

SMILES: Cl.OC(=O)C1=CC=CC=C1N1CCCC1

IUPAC: 2-(pyrrolidin-1-yl)benzoic acid hydrochloride

InChI: InChI=1S/C11H13NO2.ClH/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12;/h1-2,5-6H,3-4,7-8H2,(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	0
Exact Mass	227.0713064
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SCLSYYXAGSHMGI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.28
Topological Polar Surface Area	40.54
Polarizability	20.43
Ring Count	2
Rotatable Bond Count	2

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