5-Bromo-1,2,4-triazole-3-carbonitrile


Chemical Name: 5-Bromo-1,2,4-triazole-3-carbonitrile
CAS Number: 1427475-12-4
Product Number: AG003MFG(AGN-PC-0WAM6R)
Synonyms:
MDL No: MFCD23381102
Molecular Formula: C3HBrN4
Molecular Weight: 172.9708

Identification/Properties


Properties
BP:
368.9±25.0°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
172.973g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
171.938g/mol
Monoisotopic Mass:
171.938g/mol
Topological Polar Surface Area:
65.4A^2
Heavy Atom Count:
8
Formal Charge:
0
Complexity:
127
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback