2-octyl-1H-1,3-benzodiazole

2-octyl-1H-1,3-benzodiazole

CAS: 13060-24-7

Formula: C15H22N2

SMILES: CCCCCCCCC1=NC2=CC=CC=C2N1

IUPAC: 2-octyl-1H-1,3-benzodiazole

InChI: InChI=1S/C15H22N2/c1-2-3-4-5-6-7-12-15-16-13-10-8-9-11-14(13)17-15/h8-11H,2-7,12H2,1H3,(H,16,17)

Composition: C (78.21%), H (9.63%), N (12.16%)

Molar Mass: 230.355

Atom Count: 39

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	230.178298716
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	IRMWQHINYNTMNS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.64
Topological Polar Surface Area	28.68
Polarizability	29.39
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	13060-24-7		$15.13-$155.10$15.13$45.40$155.10