C1=CC(=CC=C1CC2=NC=C(C(=N2)Cl)F)F
Name: 4-chloro-5-fluoro-2-[(4-fluorophenyl)methyl]pyrimidine
SMILES: C1=CC(=CC=C1CC2=NC=C(C(=N2)Cl)F)F

Molecular Processing

Molecular formula
C11H7ClF2N2
Molecular weight
240.64
Exact mass
240.0266
XLogP
3
TPSA
25.78
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
56.21

Supplementary Information

InChIKey: LPQQLUXUJUJZNX-UHFFFAOYSA-N
Synonyme
SCHEMBL8130133LPQQLUXUJUJZNX-UHFFFAOYSA-N4-Chloro-5-fluoro-2-(4-fluorobenzyl)-pyrimidine
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