Name: 5-bromo-1-benzothiophene-2-carboxylic acid
SMILES:
O=C(O)c1cc2cc(Br)ccc2s1Molecular Processing
Molecular formula
C9H5BrO2S
Molecular weight
257.11
Exact mass
255.9194
XLogP
3.36
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
56.48
Supplementary Information
Details werden geladen…
An 13 Reaktionen beteiligt→