Name: 1,3-di (t-butyl)-2-methoxy-5-bromomethylbenzene
SMILES:
COc1c(C(C)(C)C)cc(CBr)cc1C(C)(C)CMolecular Processing
Molecular formula
C16H25BrO
Molecular weight
313.28
Exact mass
312.1089
XLogP
5.19
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
83.03
Supplementary Information
Details werden geladen…
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