Nombre: 2-(chloromethyl)-5-phenylmethoxy-3H-pyridin-4-one
SMILES:
C1C(=NC=C(C1=O)OCC2=CC=CC=C2)CClMolecular Processing
Molecular formula
C13H12ClNO2
Molecular weight
249.7
Exact mass
249.0557
XLogP
2.7
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
67.09
Supplementary Information
InChIKey: FODTXOVJZCKDKM-UHFFFAOYSA-N
Sinónimos
SCHEMBL9012914FODTXOVJZCKDKM-UHFFFAOYSA-N2-chloromethyl-5-benzyloxy-4-pyridone5-benzyloxy-2-chloromethyl-4-pyridone
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