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Also known as: Pyridine hydrobromide perbromide, Mfcd00013223, Pyridinium hydrobromide perbromide, Pyridinium bromide perbromide, tech., Monopyridin-1-iumtribromide, Pyridinium tribromide (>90%)
Molecular Formula
C5H6Br3N
Molecular Weight
319.82  g/mol
InChI Key
VDCLSGXZVUDARN-UHFFFAOYSA-N

CAS 39416-48-3
1 2D Structure

CAS 39416-48-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
molecular bromine;pyridin-1-ium;bromide
2.1.2 InChI
InChI=1S/C5H5N.Br2.BrH/c1-2-4-6-5-3-1;1-2;/h1-5H;;1H
2.1.3 InChI Key
VDCLSGXZVUDARN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=[NH+]C=C1.[Br-].BrBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Pyridine Hydrobromide Perbromide

2. Mfcd00013223

3. Pyridinium Hydrobromide Perbromide

4. Pyridinium Bromide Perbromide, Tech.

5. Monopyridin-1-iumtribromide

6. Pyridinium Tribromide (>90%)

7. Dtxsid80885771

8. Nsbnszaxnugwdj-uhfffaoysa-o

9. Akos016009291

10. As-11339

11. P0825

12. Pyridinium Tribromide, Technical Grade, 90%

2.3 Create Date
2007-01-10
3 Chemical and Physical Properties
Molecular Weight 319.82 g/mol
Molecular Formula C5H6Br3N
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area14.1
Heavy Atom Count9
Formal Charge0
Complexity30.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

BUILDING BLOCK

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