2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid

2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid

Formula: C12H15ClN2O2

SMILES: CN1CCN(CC1)C1=CC(Cl)=C(C=C1)C(O)=O

IUPAC: 2-chloro-4-(4-methylpiperazin-1-yl)benzoic acid

InChI: InChI=1S/C12H15ClN2O2/c1-14-4-6-15(7-5-14)9-2-3-10(12(16)17)11(13)8-9/h2-3,8H,4-7H2,1H3,(H,16,17)

Composition: C (56.59%), H (5.94%), Cl (13.92%), N (11.00%), O (12.56%)

Molar Mass: 254.71

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	254.0822054
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KSGMSAGGSFPJAI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.6
Topological Polar Surface Area	43.78
Polarizability	25.72
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H15ClN2O2		Quote Only