CCC#CCOC1=C(C(=NC=N1)Cl)F
名称: 4-chloro-5-fluoro-6-pent-2-ynoxypyrimidine
SMILES: CCC#CCOC1=C(C(=NC=N1)Cl)F

Molecular Processing

Molecular formula
C9H8ClFN2O
Molecular weight
214.63
Exact mass
214.0309
XLogP
2.06
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
50.56

Supplementary Information

InChIKey: YSFAPOCNZAHNTE-UHFFFAOYSA-N
同義語
SCHEMBL83779YSFAPOCNZAHNTE-UHFFFAOYSA-N4-chloro-5-fluoro-6-(2-pentynyloxy)pyrimidine
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