CC(CCCBr)C(C)C(=O)O
SMILES: CC(CCCBr)C(C)C(=O)O

Molecular Processing

Molecular formula
C8H15BrO2
Molecular weight
223.11
Exact mass
222.0255
XLogP
2.52
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
11
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.875
Molar refractivity
48.99

Supplementary Information

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