Name: 1-bromo-2-(3,4-dimethoxyphenyl)ethane
SMILES:
COc1ccc(CCBr)cc1OCMolecular Processing
Molecular formula
C10H13BrO2
Molecular weight
245.12
Exact mass
244.0099
XLogP
2.64
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
57.04
Supplementary Information
Details werden geladen…
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