C1CCOC(C1)OCCN2C=C(C=N2)I
CAS: 879487-88-4
Name: 4-iodo-1-[2-(oxan-2-yloxy)ethyl]pyrazole
SMILES: C1CCOC(C1)OCCN2C=C(C=N2)I

Molecular Processing

Molecular formula
C10H15IN2O2
Molecular weight
322.15
Exact mass
322.0178
XLogP
2.03
TPSA
36.28
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.7
Molar refractivity
64.49

Supplementary Information

InChIKey: HVRQFISDBJZTGY-UHFFFAOYSA-N
Synonyme
879487-88-44-Iodo-1-[2-(tetrahydro-2H-pyran-2-yloxy)ethyl]-1H-pyrazole4-Iodo-1-(2-((tetrahydro-2H-pyran-2-yl)oxy)ethyl)-1H-pyrazole4-iodo-1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-pyrazole4-iodo-1-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-1H-pyrazole4-IODO-1-[2-(OXAN-2-YLOXY)ETHYL]PYRAZOLEMFCD166194934-Iodo-1-[2-[(tetrahydro-2H-pyran-2-yl)oxy]ethyl]-1H-pyrazole4-iodo-1-[2-(oxan-2-yloxy)ethyl]-1H-pyrazoleSCHEMBL299606HVRQFISDBJZTGY-UHFFFAOYSA-NDTXSID201183116DB-332351CS-0456850H291554-iodo-1-(2-tetrahydropyran-2-yloxyethyl)pyrazole4-Iodo-1-{2-[(oxan-2-yl)oxy]ethyl}-1H-pyrazoleA1-258764-Iodo-1[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-pyrazole
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