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5-Bromoacenaphthene

CAT: 0572-TRC-B679353-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B679353-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2051-98-1
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
Brc1ccc2CCc3cccc1c23
Molecular Formula
C12H9Br
Molecular Weight
233.1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

5-Bromoacenaphthene
CAS Number2051-98-1
PubChem CID74923
IUPAC Name5-bromo-1,2-dihydroacenaphthylene
Molecular FormulaC12H9Br
Molecular Weight233.10
XLogP4.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity201
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)Br
InChI
InChI=1S/C12H9Br/c13-11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2
InChIKey
QALKJGMGKYKMKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromoacenaphthene
CAS: 2051-98-1
CID: 74923
Formula: C12H9Br
MW: 233.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.10
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass231.98876
Monoisotopic Mass231.98876
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity201
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