CC(C(=O)C)OC1=CC=C(C=C1)Cl
CAS: 3782-11-4
Название: 3-(4-chlorophenoxy)butan-2-one
SMILES: CC(C(=O)C)OC1=CC=C(C=C1)Cl

Molecular Processing

Molecular formula
C10H11ClO2
Molecular weight
198.65
Exact mass
198.0448
XLogP
2.7
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
52.22

Supplementary Information

InChIKey: UXTBBGMAUUPHCT-UHFFFAOYSA-N
Синонимы
3-(4-chlorophenoxy)-2-butanone3782-11-4DTXSID10395535RefChem:274458DTXCID003463943-(4-chlorophenoxy)butan-2-oneMFCD00243668SCHEMBL6619368UXTBBGMAUUPHCT-UHFFFAOYSA-NAKOS0089079798C-042
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