C(=O)(C(Cl)(Cl)Cl)O
CAS: 76-03-9
Name: 2,2,2-trichloroacetic acid
SMILES: C(=O)(C(Cl)(Cl)Cl)O

Molecular Processing

Molecular formula
C2HCl3O2
Molecular weight
163.39
Exact mass
161.9042
XLogP
1.44
TPSA
37.3
H-bond donors
1
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
1
Fraction Csp3
0.5
Molar refractivity
27.93

Supplementary Information

InChIKey: YNJBWRMUSHSURL-UHFFFAOYSA-N
Synonyme
TRICHLOROACETIC ACID76-03-9Aceto-caustinAcetic acid, trichloro-Trichloroethanoic acidTrichloracetic acidKonestaTrichloressigsaeureTrichloroacetate2,2,2-trichloroacetic acidAmchem grass killerAcido tricloroaceticoAcide trichloracetiqueTrichloorazijnzuurTecaneKyselina trichloroctovaTKhUTKhUKTrichloroacetic acid (IUPAC)Trichloromethanecarboxylic acidDTXSID1021378NSC-2152045V2JDO056XDTXCID001378CHEBI:30956hydron;2,2,2-trichloroacetateCHEBI:27455Trichloroaectic AcidSodium TCA solutionAcid, Trichloroacetic
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