Name: 5-Bromo-2-(3-propoxyphenyl)pyrimidine
SMILES:
CCCOc1cccc(-c2ncc(Br)cn2)c1Molecular Processing
Molecular formula
C13H13BrN2O
Molecular weight
293.16
Exact mass
292.0211
XLogP
3.69
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
70.95
Supplementary Information
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