名称: dimethyl 4-bromoisophthalate
SMILES:
COC(=O)c1ccc(Br)c(C(=O)OC)c1Molecular Processing
Molecular formula
C10H9BrO4
Molecular weight
273.08
Exact mass
271.9684
XLogP
2.02
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.82
Supplementary Information
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