1-(2-iodobenzoyl)azepane

1-(2-iodobenzoyl)azepane

Formula: C13H16INO

SMILES: IC1=CC=CC=C1C(=O)N1CCCCCC1

IUPAC: 1-(2-iodobenzoyl)azepane

InChI: InChI=1S/C13H16INO/c14-12-8-4-3-7-11(12)13(16)15-9-5-1-2-6-10-15/h3-4,7-8H,1-2,5-6,9-10H2

Composition: C (47.43%), H (4.90%), I (38.55%), N (4.26%), O (4.86%)

Molar Mass: 329.181

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	329.02766
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	XLUNTTMOSXUTDC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.04
Topological Polar Surface Area	20.31
Polarizability	28.57
Ring Count	2
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H16INO		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00