C1CN(CCC1=O)C(=O)C(Cl)Cl
CAS: 77919-40-5
名称: 1-(2,2-dichloroacetyl)piperidin-4-one
SMILES: C1CN(CCC1=O)C(=O)C(Cl)Cl

Molecular Processing

Molecular formula
C7H9Cl2NO2
Molecular weight
210.06
Exact mass
209.001
XLogP
0.98
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
46.32

Supplementary Information

InChIKey: ULASXYYKSOPCSR-UHFFFAOYSA-N
同義語
77919-40-51-(Dichloroacetyl)piperidin-4-oneN-dichloroacetylpiperid-4-oneN-dichloroacetyl-piperid-4-oneSCHEMBL10899355DTXSID90515310ULASXYYKSOPCSR-UHFFFAOYSA-N4-Piperidinone, 1-(dichloroacetyl)-DB-283884
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