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3,6-Dibromocarbazole

CAT: 0013-GTR19216256-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19216256-01Size:1 g
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Description
3,6-Dibromocarbazole is a marine derived natural products found in Kyrtuthrix maculans.
CAS Number
6825-20-3
Product Name Alternative
3,6-Dibromo-9H-carbazole
Purity
>98% (HPLC)
Smiles
BrC1=CC=C2NC=3C=CC (Br) =CC3C2=C1
Molecular Formula
C12H7Br2N
Molecular Weight
325
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

3,6-Dibromocarbazole

3,6-Dibromocarbazole is a member of biphenyls and a member of bromobenzenes.

CAS Number6825-20-3
PubChem CID274874
IUPAC Name3,6-dibromo-9H-carbazole
Molecular FormulaC12H7Br2N
Molecular Weight325.00
XLogP4.8
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count15
Formal Charge0
Complexity222
SMILES
C1=CC2=C(C=C1Br)C3=C(N2)C=CC(=C3)Br
InChI
InChI=1S/C12H7Br2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6,15H
InChIKey
FIHILUSWISKVSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,6-Dibromocarbazole
CAS: 6825-20-3
CID: 274874
Formula: C12H7Br2N
MW: 325.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.00
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass324.89247
Monoisotopic Mass322.89452
Topological Polar Surface Area15.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity222
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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