Название: 4-(4,6-Bis(trichloromethyl)-s-triazin-2-yl)-benzoyl chloride
SMILES:
O=C(Cl)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1Molecular Processing
Molecular formula
C12H4Cl7N3O
Molecular weight
454.35
Exact mass
450.8174
XLogP
5.57
TPSA
55.74
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
93.92
Supplementary Information
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