Cc1c(Br)sc2ccc(F)cc12
Name: 2-bromo-5-fluoro-3-methyl-1-benzothiophene
SMILES: Cc1c(Br)sc2ccc(F)cc12

Molecular Processing

Molecular formula
C9H6BrFS
Molecular weight
245.12
Exact mass
243.9358
XLogP
4.11
TPSA
0
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
54.22

Supplementary Information

InChIKey: ZADAEJSZAKGTSD-UHFFFAOYSA-N
Synonyme
2-Bromo-5-fluoro-3-methylbenzo[b]thiopheneSCHEMBL545078ZADAEJSZAKGTSD-UHFFFAOYSA-NDB-1276412-bromo-5-fluoro-3-methyl-benzo[b]thiophene
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