methyl 3-chloro-4-(4-methylpiperazin-1-yl)benzoate

methyl 3-chloro-4-(4-methylpiperazin-1-yl)benzoate

CAS: 1256633-29-0

Formula: C13H17ClN2O2

SMILES: COC(=O)C1=CC(Cl)=C(C=C1)N1CCN(C)CC1

IUPAC: methyl 3-chloro-4-(4-methylpiperazin-1-yl)benzoate

InChI: InChI=1S/C13H17ClN2O2/c1-15-5-7-16(8-6-15)12-4-3-10(9-11(12)14)13(17)18-2/h3-4,9H,5-8H2,1-2H3

Composition: C (58.10%), H (6.38%), Cl (13.19%), N (10.42%), O (11.91%)

Molar Mass: 268.74

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	268.0978555
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CCHYJZXLHBLDSG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.37
Topological Polar Surface Area	32.78
Polarizability	27.78
Ring Count	2
Rotatable Bond Count	3

Suppliers

LabNetwork INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	1 Day	1256633-29-0		$47.17-$176.90$47.17$88.45$176.90