Home Other Building Blocks 3-Bromo-5-ethyl-1h-1,2,4-triazole

3-Bromo-5-ethyl-1h-1,2,4-triazole

CAS No.:
15777-58-9
Catalog Number:
AG001PPI
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG001PPI
Chemical Name:
3-Bromo-5-ethyl-1h-1,2,4-triazole
CAS Number:
15777-58-9
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
MDL Number:
MFCD12827510
IUPAC Name:
3-bromo-5-ethyl-1H-1,2,4-triazole
InChI:
InChI=1S/C4H6BrN3/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H,6,7,8)
InChI Key:
RKNGIWHDLFYCGV-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c(n1)Br
Properties
Complexity:
77.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.975g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
176.017g/mol
Monoisotopic Mass:
174.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties