이름: 2-chloro-3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonylbenzoyl chloride
SMILES:
CS(=O)(=O)c1ccc(C(=O)Cl)c(Cl)c1C1=NOCC1Molecular Processing
Molecular formula
C11H9Cl2NO4S
Molecular weight
322.17
Exact mass
320.9629
XLogP
2.25
TPSA
72.8
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
71.85
Supplementary Information
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