이름: methyl 3-(bromomethyl)-5-[4-(trifluoromethyl)phenyl]thiophene-2-carboxylate
SMILES:
COC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)cc1CBrMolecular Processing
Molecular formula
C14H10BrF3O2S
Molecular weight
379.2
Exact mass
377.9537
XLogP
5.12
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
78.73
Supplementary Information
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