이름: tert-butyl[4-(bromomethyl)phenyl](cyclopentyl)acetate
SMILES:
CC(C)(C)OC(=O)C(c1ccc(CBr)cc1)C1CCCC1Molecular Processing
Molecular formula
C18H25BrO2
Molecular weight
353.3
Exact mass
352.1038
XLogP
5.2
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
89.62
Supplementary Information
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