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1,2,3-Tribromobenzene

CAT: 0572-TRC-T771860-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T771860-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
608-21-9
Hazard Statement
Causes skin irritation; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Brc1cccc(Br)c1Br
Molecular Formula
C6H3Br3
Molecular Weight
314.8
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2,3-Tribromobenzene
CAS Number608-21-9
PubChem CID11842
IUPAC Name1,2,3-tribromobenzene
Molecular FormulaC6H3Br3
Molecular Weight314.80
XLogP4.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C1=CC(=C(C(=C1)Br)Br)Br
InChI
InChI=1S/C6H3Br3/c7-4-2-1-3-5(8)6(4)9/h1-3H
InChIKey
GMVJKSNPLYBFSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,2,3-Tribromobenzene
CAS: 608-21-9
CID: 11842
Formula: C6H3Br3
MW: 314.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.80
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass313.77644
Monoisotopic Mass311.77849
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.3
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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