이름: Methyl 4-(bromoacetyl)-3,5-dimethoxybenzoate
SMILES:
COC(=O)c1cc(OC)c(C(=O)CBr)c(OC)c1Molecular Processing
Molecular formula
C12H13BrO5
Molecular weight
317.14
Exact mass
315.9946
XLogP
2.07
TPSA
61.83
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
69.01
Supplementary Information
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