이름: 4-Butoxy-2-(2-chloroethyl)benzoyl chloride
SMILES:
CCCCOc1ccc(C(=O)Cl)c(CCCl)c1Molecular Processing
Molecular formula
C13H16Cl2O2
Molecular weight
275.17
Exact mass
274.0527
XLogP
4.03
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
7
Heavy atoms
17
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
0.462
Molar refractivity
71.45
Supplementary Information
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