Name: 1-bromo-2-methoxy-nonyl benzene
SMILES:
CCCCCCCC(OC)C(Br)c1ccccc1Molecular Processing
Molecular formula
C16H25BrO
Molecular weight
313.28
Exact mass
312.1089
XLogP
5.5
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
9
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
82.28
Supplementary Information
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