(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloropropyl)prop-2-enamide

(2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloropropyl)prop-2-enamide

Formula: C13H14ClNO3

SMILES: ClCCCNC(=O)C=CC1=CC=C2OCOC2=C1

IUPAC: (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(3-chloropropyl)prop-2-enamide

InChI: InChI=1S/C13H14ClNO3/c14-6-1-7-15-13(16)5-3-10-2-4-11-12(8-10)18-9-17-11/h2-5,8H,1,6-7,9H2,(H,15,16)/b5-3+

Composition: C (58.33%), H (5.27%), Cl (13.24%), N (5.23%), O (17.93%)

Molar Mass: 267.71

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.066221
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MZQCIGJADNGNNG-HWKANZROSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.75
Topological Polar Surface Area	47.56
Polarizability	26.66
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H14ClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00