Name: 4-(4-bromo-3,5-dimethyl-phenyl)-2,6-dimethyl-pyrimidine
SMILES:
Cc1cc(-c2cc(C)c(Br)c(C)c2)nc(C)n1Molecular Processing
Molecular formula
C14H15BrN2
Molecular weight
291.19
Exact mass
290.0419
XLogP
4.14
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
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
0.286
Molar refractivity
74.12
Supplementary Information
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