Name: 5-chloro-isoxazole-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1cc(Cl)on1Molecular Processing
Molecular formula
C6H6ClNO3
Molecular weight
175.57
Exact mass
175.0036
XLogP
1.5
TPSA
52.33
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
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
37.47
Supplementary Information
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