C1CCOC(C1)OC2=CC=C(C=C2)CCCBr
Name: 2-[4-(3-bromopropyl)phenoxy]oxane
SMILES: C1CCOC(C1)OC2=CC=C(C=C2)CCCBr

Molecular Processing

Molecular formula
C14H19BrO2
Molecular weight
299.21
Exact mass
298.0568
XLogP
3.92
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
72.78

Supplementary Information

InChIKey: XQYLLYLZIKPFIJ-UHFFFAOYSA-N
Synonyms
SCHEMBL7736919XQYLLYLZIKPFIJ-UHFFFAOYSA-N1-(4'-(2-tetrahydropyranyloxy)phenyl)-3-bromopropane
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Involved in 3 reactions→

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