C(=O)(C(C(C(=O)O)(F)Cl)(F)F)O
CAS: 866-16-0
Nombre: 2-chloro-2,3,3-trifluorobutanedioic acid
SMILES: C(=O)(C(C(C(=O)O)(F)Cl)(F)F)O

Molecular Processing

Molecular formula
C4H2ClF3O4
Molecular weight
206.5
Exact mass
205.9594
XLogP
0.7
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
29.91

Supplementary Information

InChIKey: AWSACKQBEIHEPZ-UHFFFAOYSA-N
Sinónimos
866-16-02-CHLORO-2,3,3-TRIFLUOROBUTANEDIOIC ACIDDTXSID70596460RefChem:258372DTXCID405472222-chloro-2,3,3-trifluorosuccinic acidCHLOROTRIFLUOROSUCCINIC ACIDMFCD03426020butanedioic acid, 2-chloro-2,3,3-trifluoro-Butanedioic acid,2-chloro-2,3,3-trifluoro-C4H2ClF3O4SCHEMBL8303923ALBB-026457AKOS017259336LS-090192-chloro-2,3,3-trifluoro-butanedioic acidDB-197905CS-0456646H35593
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