N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

Formula: C18H16BrNO4

SMILES: CCC(=O)NC1=CC2=C(OCCO2)C=C1C(=O)C1=CC=C(Br)C=C1

IUPAC: N-[7-(4-bromobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]propanamide

InChI: InChI=1S/C18H16BrNO4/c1-2-17(21)20-14-10-16-15(23-7-8-24-16)9-13(14)18(22)11-3-5-12(19)6-4-11/h3-6,9-10H,2,7-8H2,1H3,(H,20,21)

Composition: C (55.40%), H (4.13%), Br (20.48%), N (3.59%), O (16.40%)

Molar Mass: 390.233

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	389.026271
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IABIFRUTIKYETO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.7
Topological Polar Surface Area	64.63
Polarizability	35.82
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H16BrNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00