1-butoxy-4-isocyanatobenzene

1-butoxy-4-isocyanatobenzene

CAS: 28439-86-3

Formula: C11H13NO2

SMILES: CCCCOC1=CC=C(C=C1)N=C=O

IUPAC: 1-butoxy-4-isocyanatobenzene

InChI: InChI=1S/C11H13NO2/c1-2-3-8-14-11-6-4-10(5-7-11)12-9-13/h4-7H,2-3,8H2,1H3

Composition: C (69.09%), H (6.85%), N (7.32%), O (16.73%)

Molar Mass: 191.23

Atom Count: 27

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	191.094628663
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ASFIDVOMDQBCNP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.47
Topological Polar Surface Area	38.66
Polarizability	20.68
Ring Count	1
Rotatable Bond Count	5

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