이름: 1,3-dichloro-2-(4-nitro-3-propan-2-ylsulfanylphenyl)-5-(trifluoromethyl)benzene
SMILES:
CC(C)SC1=C(C=CC(=C1)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl)[N+](=O)[O-]Molecular Processing
Molecular formula
C16H12Cl2F3NO2S
Molecular weight
410.24
Exact mass
408.9918
XLogP
7.09
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
94.55
Supplementary Information
InChIKey: RFLYYMDYBIUTGQ-UHFFFAOYSA-N
동의어
[5-(2,6-dichloro-4-trifluoromethylphenyl)-2-nitrophenyl]isopropyl sulfideSCHEMBL3480527[5-(2,6-dichloro-4-trifluoromethylphenyl)-2-nitrophenyl] isopropyl sulfide
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