O=Cc1c(Br)cc(C(F)(F)F)cc1C(F)(F)F
名称: 2-bromo-4,6-bis(trifluoromethyl)benzaldehyde
SMILES: O=Cc1c(Br)cc(C(F)(F)F)cc1C(F)(F)F

Molecular Processing

Molecular formula
C9H3BrF6O
Molecular weight
321.01
Exact mass
319.9271
XLogP
4.3
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.53

Supplementary Information

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