Name: 4-chloro-6-pent-2-enoxypyrimidine
SMILES:
CCC=CCOc1cc(Cl)ncn1Molecular Processing
Molecular formula
C9H11ClN2O
Molecular weight
198.65
Exact mass
198.056
XLogP
2.48
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
51.97
Supplementary Information
InChIKey: WIHKAMJZILSCJJ-UHFFFAOYSA-N
Synonyme
SCHEMBL82362WIHKAMJZILSCJJ-UHFFFAOYSA-N4-chloro-6-(2-pentenyloxy)pyrimidine
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