C(C(=O)O)(Cl)Cl
CAS: 79-43-6
Name: 2,2-dichloroacetic acid
SMILES: C(C(=O)O)(Cl)Cl

Molecular Processing

Molecular formula
C2H2Cl2O2
Molecular weight
128.94
Exact mass
127.9432
XLogP
0.87
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
1
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
23.13

Supplementary Information

InChIKey: JXTHNDFMNIQAHM-UHFFFAOYSA-N
Synonyme
DICHLOROACETIC ACID79-43-62,2-Dichloroacetic acidDichloracetic acidAcetic acid, dichloro-Bichloracetic acidDichloroethanoic acidUrner's liquidDichlorethanoic acidBichloroacetic AcidDCA (acid)Kyselina dichloroctovaDTXSID2020428NSC-26549LSH52S3LQDTXCID20428CHEBI:36386Acid, BichloroaceticAcid, DichloroaceticDichloroacetate, SodiumRefChem:133033Dichloroacetate, Potassium201-207-0DICHLORO-ACETIC ACIDAcetic acid, 2,2-dichloro-C2H2Cl2O2NSC 2654DCAMFCD000042232,2-Dichloroacetic Acid-2-13C
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