Name: 5-bromo-indan-2-carboxylic acid methyl ester
SMILES:
COC(=O)C1Cc2ccc(Br)cc2C1Molecular Processing
Molecular formula
C11H11BrO2
Molecular weight
255.11
Exact mass
253.9942
XLogP
2.34
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
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
0.364
Molar refractivity
57.06
Supplementary Information
Details werden geladen…
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