Name: 1-bromo-3,5-difluoro-4-(1-methylheptyloxy)benzene
SMILES:
CCCCCCC(C)Oc1c(F)cc(Br)cc1FMolecular Processing
Molecular formula
C14H19BrF2O
Molecular weight
321.2
Exact mass
320.0587
XLogP
5.47
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
72.91
Supplementary Information
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