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2-({2-[(6-bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene

2-({2-[(6-bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene

CAS: 503070-57-3

Formula: C15H21BrCl2O2

SMILES: ClC1=CC=CC(Cl)=C1COCCOCCCCCCBr

IUPAC: 2-({2-[(6-bromohexyl)oxy]ethoxy}methyl)-1,3-dichlorobenzene

InChI: InChI=1S/C15H21BrCl2O2/c16-8-3-1-2-4-9-19-10-11-20-12-13-14(17)6-5-7-15(13)18/h5-7H,1-4,8-12H2

Composition: C (46.90%), H (5.51%), Br (20.80%), Cl (18.46%), O (8.33%)

Molar Mass: 384.14

Atom Count: 41

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 382.010198
Formal Charge 0
FSP3 0.6
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey AKLUHFHHUBIDQA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 89.32
Topological Polar Surface Area 18.46
Polarizability 34.78
Ring Count 1
Rotatable Bond Count 11

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