C1=CC(=CC=C1C2=CSC3=C2C=CC(=C3)OCCCBr)F
이름: 6-(3-bromopropoxy)-3-(4-fluorophenyl)-1-benzothiophene
SMILES: C1=CC(=CC=C1C2=CSC3=C2C=CC(=C3)OCCCBr)F

Molecular Processing

Molecular formula
C17H14BrFOS
Molecular weight
365.27
Exact mass
363.9933
XLogP
5.87
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
91.13

Supplementary Information

InChIKey: AOISTAQRQCCZPZ-UHFFFAOYSA-N
동의어
SCHEMBL5038373AOISTAQRQCCZPZ-UHFFFAOYSA-N6-(3-Bromo-propoxy)-3-(4-fluoro-phenyl)-benzo[b]thiophene
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