COC(=O)C(C)(OCC(C)(N=[N+]=[N-])c1cccc(Br)c1)C(F)(F)F
名称: 2-[2-azido-2-(3-bromo-phenyl)-propoxy]-3,3,3-trifluoro-2-methyl-propionic acid methyl ester
SMILES: COC(=O)C(C)(OCC(C)(N=[N+]=[N-])c1cccc(Br)c1)C(F)(F)F

Molecular Processing

Molecular formula
C14H15BrF3N3O3
Molecular weight
410.19
Exact mass
409.0249
XLogP
4.49
TPSA
84.29
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
83.07

Supplementary Information

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