1-isocyanato-4-(octyloxy)benzene

1-isocyanato-4-(octyloxy)benzene

CAS: 32223-72-6

Formula: C15H21NO2

SMILES: CCCCCCCCOC1=CC=C(C=C1)N=C=O

IUPAC: 1-isocyanato-4-(octyloxy)benzene

InChI: InChI=1S/C15H21NO2/c1-2-3-4-5-6-7-12-18-15-10-8-14(9-11-15)16-13-17/h8-11H,2-7,12H2,1H3

Composition: C (72.84%), H (8.56%), N (5.66%), O (12.94%)

Molar Mass: 247.338

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.15722892
Formal Charge	0
FSP3	0.53
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZCVRGEOUWLLVTD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.87
Topological Polar Surface Area	38.66
Polarizability	28.04
Ring Count	1
Rotatable Bond Count	9

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