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2- (2-Bromo-4-fluorophenoxy) propane

CAT: 0127-PC7408Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC7408Size:1 g
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CAS Number
202865-79-0
Synonyms
2-Bromo-4-fluoro-1-isopropoxybenzene
MDL Number
MFCD00070761
Purity
98%
Smiles
CC(C)Oc1ccc(F)cc1Br

Chemical Information

2-Bromo-4-fluoro-1-isopropoxybenzene
CAS Number202865-79-0
PubChem CID2773388
IUPAC Name2-bromo-4-fluoro-1-propan-2-yloxybenzene
Molecular FormulaC9H10BrFO
Molecular Weight233.08
XLogP3.5
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity140
SMILES
CC(C)OC1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C9H10BrFO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKey
HFSLIMXPHXLCKX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-fluoro-1-isopropoxybenzene
CAS: 202865-79-0
CID: 2773388
Formula: C9H10BrFO
MW: 233.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.08
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass231.98991
Monoisotopic Mass231.98991
Topological Polar Surface Area9.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity140
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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