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

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

CAS No.:
1427475-12-4
Catalog Number:
AG003MFG
Molecular Formula:
C3HBrN4
Molecular Weight:
172.9708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$88
- +
1g
96%
In Stock USA
United States
$188
- +
5g
96%
In Stock USA
United States
$532
- +
Product Description
Catalog Number:
AG003MFG
Chemical Name:
5-Bromo-1,2,4-triazole-3-carbonitrile
CAS Number:
1427475-12-4
Molecular Formula:
C3HBrN4
Molecular Weight:
172.9708
MDL Number:
MFCD23381102
IUPAC Name:
5-bromo-1H-1,2,4-triazole-3-carbonitrile
InChI:
InChI=1S/C3HBrN4/c4-3-6-2(1-5)7-8-3/h(H,6,7,8)
InChI Key:
PUWSMKDRNSIONG-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c(n1)Br
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.938g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.973g/mol
Monoisotopic Mass:
171.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties