الاسم: methyl 6-benzoyloxy-2(RS)-bromohexanoate
SMILES:
COC(=O)C(Br)CCCCOC(=O)c1ccccc1Molecular Processing
Molecular formula
C14H17BrO4
Molecular weight
329.19
Exact mass
328.031
XLogP
2.95
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
75.31
Supplementary Information
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