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15294-81-2

15294-81-2 | 4,5-Dibromo-1H-1,2,3-Triazole

CAS No: 15294-81-2 Catalog No: AG003838 MDL No:MFCD08062401

Product Description

Catalog Number:
AG003838
Chemical Name:
4,5-Dibromo-1H-1,2,3-Triazole
CAS Number:
15294-81-2
Molecular Formula:
C2HBr2N3
Molecular Weight:
226.8574
MDL Number:
MFCD08062401
IUPAC Name:
4,5-dibromo-2H-triazole
InChI:
InChI=1S/C2HBr2N3/c3-1-2(4)6-7-5-1/h(H,5,6,7)
InChI Key:
GUQUYKTWVBJKFL-UHFFFAOYSA-N
SMILES:
Brc1[nH]nnc1Br
NSC Number:
222414

Properties

Complexity:
60  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.852g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.859g/mol
Monoisotopic Mass:
224.854g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

Literature

Title Journal
Highly regioselective N-2 arylation of 4,5-dibromo-1,2,3-triazole: efficient synthesis of 2-aryltriazoles. Organic letters 20091105

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