CC1(C)C(C=C(Br)Br)C1C(=O)Cl
SMILES: CC1(C)C(C=C(Br)Br)C1C(=O)Cl

Molecular Processing

Molecular formula
C8H9Br2ClO
Molecular weight
316.42
Exact mass
313.8709
XLogP
3.66
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
57.56

Supplementary Information

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