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Tavarborol impurity 16 (Standard)

CAT: 0804-HY-43488R-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-43488R-01Size:25 mg
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Description
2-Bromo-5-fluorobenzyl acetate (Standard) is the analytical standard of 2-Bromo-5-fluorobenzyl acetate. This product is intended for research and analytical applications.
CAS Number
1839665-96-1
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
FC1=CC=C(Br)C(COC(C)=O)=C1
Molecular Formula
C9H8BrFO2
Molecular Weight
247.06
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

2-Bromo-5-fluorobenzyl acetate
CAS Number1839665-96-1
PubChem CID58910008
IUPAC Name(2-bromo-5-fluorophenyl)methyl acetate
Molecular FormulaC9H8BrFO2
Molecular Weight247.06
XLogP2.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity186
SMILES
CC(=O)OCC1=C(C=CC(=C1)F)Br
InChI
InChI=1S/C9H8BrFO2/c1-6(12)13-5-7-4-8(11)2-3-9(7)10/h2-4H,5H2,1H3
InChIKey
AXHCVKANZXHHBP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-fluorobenzyl acetate
CAS: 1839665-96-1
CID: 58910008
Formula: C9H8BrFO2
MW: 247.06
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.06
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass245.96917
Monoisotopic Mass245.96917
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity186
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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