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5-Phenoxyamyl Bromide

CAT: 0024-sc-473961Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-473961Size:5 g
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CAS Number
22921-72-8

Chemical Information

((5-Bromopentyl)oxy)benzene
CAS Number22921-72-8
PubChem CID140973
IUPAC Name5-bromopentoxybenzene
Molecular FormulaC11H15BrO
Molecular Weight243.14
XLogP4.1
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count13
Formal Charge0
Complexity111
SMILES
C1=CC=C(C=C1)OCCCCCBr
InChI
InChI=1S/C11H15BrO/c12-9-5-2-6-10-13-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
WNGRHTGNGQSCTL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ((5-Bromopentyl)oxy)benzene
CAS: 22921-72-8
CID: 140973
Formula: C11H15BrO
MW: 243.14
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight243.14
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass242.03063
Monoisotopic Mass242.03063
Topological Polar Surface Area9.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity111
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes