Home Halogens 5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile

5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile

CAS No.:
328281-85-2
Catalog Number:
AG01E7TR
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E7TR
Chemical Name:
5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile
CAS Number:
328281-85-2
MDL Number:
MFCD01789804
IUPAC Name:
5-(3-bromophenyl)-1H-1,2,4-triazole-3-carbonitrile
InChI:
InChI=1S/C9H5BrN4/c10-7-3-1-2-6(4-7)9-12-8(5-11)13-14-9/h1-4H,(H,12,13,14)
InChI Key:
QELMUXYSPFQBAE-UHFFFAOYSA-N
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.97g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.071g/mol
Monoisotopic Mass:
247.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties