CCOC(C)OCC1=CC=CC=C1Br
Name: 1-bromo-2-(1-ethoxyethoxymethyl)benzene
SMILES: CCOC(C)OCC1=CC=CC=C1Br

Molecular Processing

Molecular formula
C11H15BrO2
Molecular weight
259.14
Exact mass
258.0255
XLogP
3.35
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
60.02

Supplementary Information

InChIKey: YFTPJFOIHBJBSD-UHFFFAOYSA-N
Synonyme
1-bromo-2-(1-ethoxyethyl)oxymethyl-benzeneSCHEMBL7535391YFTPJFOIHBJBSD-UHFFFAOYSA-N1-bromo-2-(1-ethoxyethyl)oxymethylbenzene
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