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9-bromoanthracene-d9

CAT: 1568-C04919-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C04919-100mgSize:100 mg
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CAS Number
183486-02-4
Additionnal Information
9-Bromoanthracene-d9 is the deuterated derivative of 9-Bromoanthracene. 9-Bromoanthracene is an organic synthesis intermediate, commonly used in the preparation of polycyclic aromatic hydrocarbon derivatives.

Chemical Information

9-Bromoanthracene-d9
CAS Number183486-02-4
PubChem CID58142214
IUPAC Name9-bromo-1,2,3,4,5,6,7,8,10-nonadeuterioanthracene
Molecular FormulaC14H9Br
Molecular Weight266.18
XLogP5.2
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity203
SMILES
[2H]C1=C(C(=C2C(=C1[2H])C(=C3C(=C(C(=C(C3=C2Br)[2H])[2H])[2H])[2H])[2H])[2H])[2H]
InChI
InChI=1S/C14H9Br/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
ZIRVQSRSPDUEOJ-LOIXRAQWSA-N
Chemical Structure
2D Structure
2D structure of 9-Bromoanthracene-d9
CAS: 183486-02-4
CID: 58142214
Formula: C14H9Br
MW: 266.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.18
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass265.04525
Monoisotopic Mass265.04525
Topological Polar Surface Area0 Ų
Heavy Atom Count15
Formal Charge0
Complexity203
Isotope Atom Count9
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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