3-chloro-4-(piperazin-1-yl)benzoic acid

3-chloro-4-(piperazin-1-yl)benzoic acid

CAS: 1197193-06-8

Formula: C11H13ClN2O2

SMILES: OC(=O)C1=CC=C(N2CCNCC2)C(Cl)=C1

IUPAC: 3-chloro-4-(piperazin-1-yl)benzoic acid

InChI: InChI=1S/C11H13ClN2O2/c12-9-7-8(11(15)16)1-2-10(9)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2,(H,15,16)

Composition: C (54.89%), H (5.44%), Cl (14.73%), N (11.64%), O (13.29%)

Molar Mass: 240.69

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	240.0665554
Formal Charge	0
FSP3	0.36
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	IXUFWLAEWINGMN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.3
Topological Polar Surface Area	52.57
Polarizability	23.87
Ring Count	2
Rotatable Bond Count	2

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<6 Days	1197193-06-8		$1,061.45-$3,261.40$1,061.45$3,261.40