CCCC1=C(C=CC(=C1Cl)Cl)O
CAS: 54932-67-1
Nom: 3,4-dichloro-2-propylphenol
SMILES: CCCC1=C(C=CC(=C1Cl)Cl)O

Molecular Processing

Molecular formula
C9H10Cl2O
Molecular weight
205.08
Exact mass
204.0109
XLogP
3.65
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
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
0.333
Molar refractivity
52.12

Supplementary Information

InChIKey: BXYFAUOKSLXETI-UHFFFAOYSA-N
Synonymes
54932-67-13,4-Dichloro-2-propylphenolPhenol, 3,4-dichloro-2-propyl-2-propyl-3,4dichlorophenol2-propyl-3,4-dichlorophenolSCHEMBL76939143,4-Dichloro-2-propylphenol #DTXSID40344915DA-24771
Voir la source →
Impliqué dans 6 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→