C(=O)C(Cl)(Cl)Cl.O
Name: 2,2,2-trichloroacetaldehyde;hydrate
SMILES: C(=O)C(Cl)(Cl)Cl.O

Molecular Processing

Molecular formula
C2H3Cl3O2
Molecular weight
165.4
Exact mass
163.9199
XLogP
0.73
TPSA
48.57
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.5
Molar refractivity
29.97

Supplementary Information

InChIKey: JFXVAUXJNBZJOP-UHFFFAOYSA-N
Synonyme
2,2,2-trichloroacetaldehyde hydratechloral-hydrate2,2,2-trichloroacetaldehyde;hydrateSCHEMBL34328JFXVAUXJNBZJOP-UHFFFAOYSA-NAKOS027475333
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