C(#N)C(Cl)(Cl)Cl
CAS: 545-06-2
Name: 2,2,2-trichloroacetonitrile
SMILES: C(#N)C(Cl)(Cl)Cl

Molecular Processing

Molecular formula
C2Cl3N
Molecular weight
144.39
Exact mass
142.9096
XLogP
1.88
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
25.9

Supplementary Information

InChIKey: DRUIESSIVFYOMK-UHFFFAOYSA-N
Synonyme
TRICHLOROACETONITRILE545-06-22,2,2-trichloroacetonitrileCyanotrichloromethaneTrichloromethyl cyanideTrichloroethanenitrileTrichlouracetonitrilTrichloromethylnitrileNitrile trichloracetiqueTrichlormethylkyanidDTXSID0021672NSC-66405DTXCID2016726397DL8869RefChem:191001208-885-7TritoxAcetonitrile, trichloro-Trichlor-acetonitrilNSC 66405CCl3CNAcetonitrile, 2,2,2-trichloro-MFCD00001842C2Cl3NTrichlormethylkyanid [Czech]Trichlouracetonitril [Dutch]Trichlor-acetonitril [German]CCRIS 2671Nitrile trichloracetique [French]EINECS 208-885-7
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