CC1=C(OC2=C1C=CC(=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl
Nom: (6-bromo-3-methyl-1-benzofuran-2-yl)-(2,4-dichlorophenyl)methanone
SMILES: CC1=C(OC2=C1C=CC(=C2)Br)C(=O)C3=C(C=C(C=C3)Cl)Cl

Molecular Processing

Molecular formula
C16H9BrCl2O2
Molecular weight
384.06
Exact mass
381.9163
XLogP
6.04
TPSA
30.21
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
88.55

Supplementary Information

InChIKey: IZJRGMHPMKFLDO-UHFFFAOYSA-N
Synonymes
SCHEMBL3092575IZJRGMHPMKFLDO-UHFFFAOYSA-N(6-Bromo-3-methyl-benzofuran-2-yl)(2,4-dichloro-phenyl)-methanone(6-Bromo-3-methyl-benzofuran-2-yl)(2,4-dichloro-phenyl)methanone(6-bromo-3-methyl-benzofuran-2-yl)-(2,4-dichlorophenyl)-methanone(6-Bromo-3-methyl-benzofuran-2-yl) (2,4-dichloro-phenyl)-methanone(6-Bromo-3-methyl-benzofuran-2-yl)-(2,4-dichloro-phenyl)-methanone
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→