Nombre: 4-(3-chloro-2-propylphenoxy)butanenitrile
SMILES:
CCCC1=C(C=CC=C1Cl)OCCCC#NMolecular Processing
Molecular formula
C13H16ClNO
Molecular weight
237.73
Exact mass
237.092
XLogP
3.98
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
65.79
Supplementary Information
InChIKey: BEIAGHJWYGTCSE-UHFFFAOYSA-N
Sinónimos
SCHEMBL10637179BEIAGHJWYGTCSE-UHFFFAOYSA-N4-(2-propyl-3-chlorophenoxy)butane nitrile
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