1-(hexyloxy)-4-isocyanatobenzene

1-(hexyloxy)-4-isocyanatobenzene

CAS: 32223-70-4

Formula: C13H17NO2

SMILES: CCCCCCOC1=CC=C(C=C1)N=C=O

IUPAC: 1-(hexyloxy)-4-isocyanatobenzene

InChI: InChI=1S/C13H17NO2/c1-2-3-4-5-10-16-13-8-6-12(7-9-13)14-11-15/h6-9H,2-5,10H2,1H3

Composition: C (71.21%), H (7.81%), N (6.39%), O (14.59%)

Molar Mass: 219.284

Atom Count: 33

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	219.125928791
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	XQMJWYWIVNCPKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.67
Topological Polar Surface Area	38.66
Polarizability	24.36
Ring Count	1
Rotatable Bond Count	7

Suppliers

Kinentia Biosciences LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	32223-70-4		$249.48$249.48