이름: tert-butyl 4-(2-bromoethyl)benzoate
SMILES:
CC(C)(C)OC(=O)c1ccc(CCBr)cc1Molecular Processing
Molecular formula
C13H17BrO2
Molecular weight
285.18
Exact mass
284.0412
XLogP
3.58
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.11
Supplementary Information
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