(2E)-2-(4-chlorophenyl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile

(2E)-2-(4-chlorophenyl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile

Formula: C17H12ClNO3

SMILES: COC1=C2OCOC2=CC(C=C(C#N)C2=CC=C(Cl)C=C2)=C1

IUPAC: (2E)-2-(4-chlorophenyl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enenitrile

InChI: InChI=1S/C17H12ClNO3/c1-20-15-7-11(8-16-17(15)22-10-21-16)6-13(9-19)12-2-4-14(18)5-3-12/h2-8H,10H2,1H3/b13-6-

Composition: C (65.08%), H (3.86%), Cl (11.30%), N (4.46%), O (15.30%)

Molar Mass: 313.74

Atom Count: 34

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	313.050571
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	FCPLZHQWIGZVEB-MLPAPPSSSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.53
Topological Polar Surface Area	51.48
Polarizability	31.89
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12ClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00