CC1=C(C=C2CC(OC2=C1C)(C)C)Br
이름: 5-bromo-2,2,6,7-tetramethyl-3H-1-benzofuran
SMILES: CC1=C(C=C2CC(OC2=C1C)(C)C)Br

Molecular Processing

Molecular formula
C12H15BrO
Molecular weight
255.15
Exact mass
254.0306
XLogP
3.78
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
62.03

Supplementary Information

InChIKey: ZBXKRNXEEKOGHM-UHFFFAOYSA-N
동의어
SCHEMBL658911ZBXKRNXEEKOGHM-UHFFFAOYSA-N5-bromo-2,2,6,7-tetramethyl-2,3-dihydro-1-benzofuran
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