COC(=O)c1cccc2[nH]c(C(Cl)(Cl)Cl)nc12
Название: methyl 2-(trichloromethyl)-1H-benzimidazole-4-carboxylate
SMILES: COC(=O)c1cccc2[nH]c(C(Cl)(Cl)Cl)nc12

Molecular Processing

Molecular formula
C10H7Cl3N2O2
Molecular weight
293.54
Exact mass
291.9573
XLogP
3.18
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
66.67

Supplementary Information

InChIKey: WYWXIDFXPHBOQN-UHFFFAOYSA-N
Синонимы
SCHEMBL3368832WYWXIDFXPHBOQN-UHFFFAOYSA-NMethyl-2-trichloromethyl-1H-benzoimidazole-4-carboxylate2-Trichloromethyl-1H-benzoimidazole-4-carboxylic acid methyl ester
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