COC1=CC(=CC(=C1O)OC)Br
CAS: 70654-71-6
Name: 4-bromo-2,6-dimethoxyphenol
SMILES: COC1=CC(=CC(=C1O)OC)Br

Molecular Processing

Molecular formula
C8H9BrO3
Molecular weight
233.06
Exact mass
231.9735
XLogP
2.17
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
48.91

Supplementary Information

InChIKey: VKXCKVRDDDEQOG-UHFFFAOYSA-N
Synonyme
4-bromo-2,6-dimethoxyphenol70654-71-6RefChem:519151817-212-1MFCD184830994-bromo-2,6-dimethoxy-phenolSCHEMBL1879373VKXCKVRDDDEQOG-UHFFFAOYSA-NVCA65471BS-29368SY145673CS-0169339D84427EN300-115219F693594
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