Nombre: 1-isothiocyanato-3-phenoxybenzene
SMILES:
C1=CC=C(C=C1)OC2=CC=CC(=C2)N=C=SMolecular Processing
Molecular formula
C13H9NOS
Molecular weight
227.29
Exact mass
227.0405
XLogP
4.21
TPSA
21.59
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
67.64
Supplementary Information
InChIKey: PWRIWSXXZAHPKO-UHFFFAOYSA-N
Sinónimos
3-phenoxyphenylisothiocyanate3-phenoxyphenyl isothiocyanate3-phenoxy-phenyl isothiocyanateSCHEMBL2893673PWRIWSXXZAHPKO-UHFFFAOYSA-NAKOS012837358
Participa en 8 reacciones→