Name: 2-bromobenzocycloheptan-1-one
SMILES:
O=C1C2=C(C=CC1Br)CCCCC2Molecular Processing
Molecular formula
C11H13BrO
Molecular weight
241.13
Exact mass
240.015
XLogP
3.15
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
56.97
Supplementary Information
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