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{[(7-bromoheptyl)oxy]methyl}benzene

{[(7-bromoheptyl)oxy]methyl}benzene

CAS: 94427-22-2

Formula: C14H21BrO

SMILES: BrCCCCCCCOCC1=CC=CC=C1

IUPAC: {[(7-bromoheptyl)oxy]methyl}benzene

InChI: InChI=1S/C14H21BrO/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10H,1-3,7-8,11-13H2

Composition: C (58.95%), H (7.42%), Br (28.01%), O (5.61%)

Molar Mass: 285.225

Atom Count: 37

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 284.077578
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BZMIZZYCYWAKIC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.26
Topological Polar Surface Area 9.23
Polarizability 28.33
Ring Count 1
Rotatable Bond Count 9

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