CC1=CC2=C(C(=C1)Br)OC(=C2CC3=CC=CC=C3)C#N
الاسم: 3-benzyl-7-bromo-5-methyl-1-benzofuran-2-carbonitrile
SMILES: CC1=CC2=C(C(=C1)Br)OC(=C2CC3=CC=CC=C3)C#N

Molecular Processing

Molecular formula
C17H12BrNO
Molecular weight
326.19
Exact mass
325.0102
XLogP
4.97
TPSA
36.93
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
82.61

Supplementary Information

InChIKey: DITHNMQORIZDHF-UHFFFAOYSA-N
مرادفات
SCHEMBL3296442DITHNMQORIZDHF-UHFFFAOYSA-N3-benzyl-7-bromo-5-methyl-benzofuran-2-carbonitrile
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