C(C(=O)O)C(C(F)(F)Br)(F)Cl
Название: 4-bromo-3-chloro-3,4,4-trifluorobutanoic acid
SMILES: C(C(=O)O)C(C(F)(F)Br)(F)Cl

Molecular Processing

Molecular formula
C4H3BrClF3O2
Molecular weight
255.42
Exact mass
253.8957
XLogP
2.35
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
35.82

Supplementary Information

InChIKey: HYQHURUGBWMJHH-UHFFFAOYSA-N
Синонимы
4-bromo-3-chloro-3,4,4-trifluorobutanoic acidSCHEMBL83444014-bromo-3-chloro-3,4,4-trifiuorobutanoic acid
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