Name: 3-bromopropyl 2-chloro-4-(4-tetrahydropyranyl)phenyl ether
SMILES:
Clc1cc(C2CCOCC2)ccc1OCCCBrMolecular Processing
Molecular formula
C14H18BrClO2
Molecular weight
333.65
Exact mass
332.0179
XLogP
4.4
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
78.15
Supplementary Information
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