이름: 4-bromo-2-(4-chlorophenyl)-5-(trifluoromethyl)-3-(trifluoromethylsulfanyl)-1H-pyrrole
SMILES:
C1=CC(=CC=C1C2=C(C(=C(N2)C(F)(F)F)Br)SC(F)(F)F)ClMolecular Processing
Molecular formula
C12H5BrClF6NS
Molecular weight
424.59
Exact mass
422.8919
XLogP
6.73
TPSA
15.79
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
75.85
Supplementary Information
InChIKey: YVPQNOCTTZBVGL-UHFFFAOYSA-N
동의어
3-bromo-5-(p-chlorophenyl)-2-(trifluoromethyl)-4-[(trifluoromethyl)thio]pyrroleSCHEMBL8662105
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