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4-bromophenyl isopropyl ether

CAT: 0127-OR96095-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR96095-01Size:5 g
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CAS Number
6967-88-0
MDL Number
MFCD00089972
Purity
97%
Smiles
CC(C)OC1=CC=C(C=C1)Br

Chemical Information

1-Bromo-4-(propan-2-yloxy)benzene
CAS Number6967-88-0
PubChem CID228088
IUPAC Name1-bromo-4-propan-2-yloxybenzene
Molecular FormulaC9H11BrO
Molecular Weight215.09
XLogP3.7
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity106
SMILES
CC(C)OC1=CC=C(C=C1)Br
InChI
InChI=1S/C9H11BrO/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7H,1-2H3
InChIKey
MPAOOLLBWUEXOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-4-(propan-2-yloxy)benzene
CAS: 6967-88-0
CID: 228088
Formula: C9H11BrO
MW: 215.09
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight215.09
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass213.99933
Monoisotopic Mass213.99933
Topological Polar Surface Area9.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity106
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

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