CC1=C(C2=C(CC(O2)(C)CBr)C(=C1N)C)C
이름: 2-(bromomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
SMILES: CC1=C(C2=C(CC(O2)(C)CBr)C(=C1N)C)C

Molecular Processing

Molecular formula
C13H18BrNO
Molecular weight
284.2
Exact mass
283.0572
XLogP
3.28
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
71.6

Supplementary Information

InChIKey: INMWNYMWBXAGKL-UHFFFAOYSA-N
동의어
CHEMBL421979SCHEMBL6977576INMWNYMWBXAGKL-UHFFFAOYSA-N2-bromomethyl-2,3-dihydro-2,4,6,7-tetramethyl-5-benzofuranamine
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