이름: 2-bromo-1,4-dimethoxy-3-methylnaphthalene
SMILES:
COc1c(C)c(Br)c(OC)c2ccccc12Molecular Processing
Molecular formula
C13H13BrO2
Molecular weight
281.15
Exact mass
280.0099
XLogP
3.93
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
69.49
Supplementary Information
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