CAS: 1215106-52-7
이름: 2-(4-fluorophenyl)-5-methoxy-1-benzothiophene-3-carboxylic acid
SMILES:
COC1=CC2=C(C=C1)SC(=C2C(=O)O)C3=CC=C(C=C3)FMolecular Processing
Molecular formula
C16H11FO3S
Molecular weight
302.33
Exact mass
302.0413
XLogP
4.41
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
80.73
Supplementary Information
InChIKey: VFLOOVLEZWIUIR-UHFFFAOYSA-N
동의어
1215106-52-72-(4-FLUOROPHENYL)-5-METHOXYBENZO[B]THIOPHENE-3-CARBOXYLIC ACIDSCHEMBL1935463VFLOOVLEZWIUIR-UHFFFAOYSA-N2-(4-FLUOROPHENYL)-5-METHOXYBENZO[B]THIOPHENE-3-CARBOXYLICACID
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