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3-Bromofluoranthene

CAT: 0572-TRC-B694833-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B694833-5MGSize:5 mg
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CAS Number
13438-50-1
Synonyms
3-Bromo-fluoranthene
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Brc1ccc2c3ccccc3c4cccc1c24
Molecular Formula
C16 H9 Br
Molecular Weight
281.147
InChI
InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
Additionnal Information
IUPAC name: 3-bromofluoranthene
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

3-Bromofluoranthene
CAS Number13438-50-1
PubChem CID13221800
IUPAC Name3-bromofluoranthene
Molecular FormulaC16H9Br
Molecular Weight281.15
XLogP5.6
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity300
SMILES
C1=CC=C2C(=C1)C3=C4C2=CC=CC4=C(C=C3)Br
InChI
InChI=1S/C16H9Br/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H
InChIKey
WCXFCLXZMIFHBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromofluoranthene
CAS: 13438-50-1
CID: 13221800
Formula: C16H9Br
MW: 281.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight281.15
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass279.98876
Monoisotopic Mass279.98876
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity300
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