CCC=CCC1=C(C=CC(=C1Cl)Cl)O
Nom: 3,4-dichloro-2-pent-2-enylphenol
SMILES: CCC=CCC1=C(C=CC(=C1Cl)Cl)O

Molecular Processing

Molecular formula
C11H12Cl2O
Molecular weight
231.12
Exact mass
230.0265
XLogP
4.21
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
14
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
0.273
Molar refractivity
61.26

Supplementary Information

InChIKey: VUNKVGBVFAAZMP-UHFFFAOYSA-N
Synonymes
SCHEMBL10636884VUNKVGBVFAAZMP-UHFFFAOYSA-N2-(2-pentenyl)-3,4-dichlorophenol
Voir la source →
Impliqué dans 1 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→