Name: methyl 4-bromo-5-(methyloxy)-2-thiophenecarboxylate
SMILES:
COC(=O)c1cc(Br)c(OC)s1Molecular Processing
Molecular formula
C7H7BrO3S
Molecular weight
251.1
Exact mass
249.9299
XLogP
2.31
TPSA
35.53
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
49.91
Supplementary Information
Details werden geladen…
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