Name: 1-(4-Bromo-phenyl)-cyclopropanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(c2ccc(Br)cc2)CC1Molecular Processing
Molecular formula
C12H13BrO2
Molecular weight
269.14
Exact mass
268.0099
XLogP
3.04
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
61.69
Supplementary Information
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