이름: 3-Iodo-4-methylbenzoyl chloride
SMILES:
Cc1ccc(C(=O)Cl)cc1IMolecular Processing
Molecular formula
C8H6ClIO
Molecular weight
280.49
Exact mass
279.9152
XLogP
2.98
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
54.08
Supplementary Information
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