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2-(5-Bromo-2-fluorophenyl)ethanamine

CAT: 0572-TRC-B961685-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B961685-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
615534-62-8
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
NCCc1cc(Br)ccc1F
Molecular Formula
C8H9NFBr
Molecular Weight
218.07
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(5-Bromo-2-fluorophenyl)ethan-1-amine
CAS Number615534-62-8
PubChem CID18509474
IUPAC Name2-(5-bromo-2-fluorophenyl)ethanamine
Molecular FormulaC8H9BrFN
Molecular Weight218.07
XLogP2
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
C1=CC(=C(C=C1Br)CCN)F
InChI
InChI=1S/C8H9BrFN/c9-7-1-2-8(10)6(5-7)3-4-11/h1-2,5H,3-4,11H2
InChIKey
QMGYXKZLUJETTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(5-Bromo-2-fluorophenyl)ethan-1-amine
CAS: 615534-62-8
CID: 18509474
Formula: C8H9BrFN
MW: 218.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.07
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass216.99024
Monoisotopic Mass216.99024
Topological Polar Surface Area26 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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