Name: methyl 2,3-difluoro-6-(pyrimidin-2-yl)benzoate
SMILES:
COC(=O)c1c(-c2ncccn2)ccc(F)c1FMolecular Processing
Molecular formula
C12H8F2N2O2
Molecular weight
250.2
Exact mass
250.0554
XLogP
2.21
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
58.72
Supplementary Information
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