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2-Bromo-4-fluorophenyl acetate

CAT: 0024-sc-230010Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-230010Size:5 g
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CAS Number
480439-44-9

Chemical Information

2-Bromo-4-fluorophenyl acetate
CAS Number480439-44-9
PubChem CID4196608
IUPAC Name(2-bromo-4-fluorophenyl) acetate
Molecular FormulaC8H6BrFO2
Molecular Weight233.03
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity174
SMILES
CC(=O)OC1=C(C=C(C=C1)F)Br
InChI
InChI=1S/C8H6BrFO2/c1-5(11)12-8-3-2-6(10)4-7(8)9/h2-4H,1H3
InChIKey
CJIWSSICZXCQSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-fluorophenyl acetate
CAS: 480439-44-9
CID: 4196608
Formula: C8H6BrFO2
MW: 233.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.03
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass231.95352
Monoisotopic Mass231.95352
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity174
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