이름: acetic acid 3-chlorocarbonyl-phenyl ester
SMILES:
CC(=O)Oc1cccc(C(=O)Cl)c1Molecular Processing
Molecular formula
C9H7ClO3
Molecular weight
198.6
Exact mass
198.0084
XLogP
1.99
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
47.93
Supplementary Information
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