Name: methyl 2-(4-fluorophenyl)-4-(3-bromoprop-1-en-1-yl)benzoate
SMILES:
COC(=O)c1ccc(C=CCBr)cc1-c1ccc(F)cc1Molecular Processing
Molecular formula
C17H14BrFO2
Molecular weight
349.2
Exact mass
348.0161
XLogP
4.69
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
86
Supplementary Information
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