Home Other Building Blocks 3-Bromo-1-methyl-1h-1,2,4-triazol-5-ol

3-Bromo-1-methyl-1h-1,2,4-triazol-5-ol

CAS No.:
22354-79-6
Catalog Number:
AG00C25Y
Molecular Formula:
C3H4BrN3O
Molecular Weight:
177.9874
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00C25Y
Chemical Name:
3-Bromo-1-methyl-1h-1,2,4-triazol-5-ol
CAS Number:
22354-79-6
Molecular Formula:
C3H4BrN3O
Molecular Weight:
177.9874
MDL Number:
MFCD16556143
IUPAC Name:
5-bromo-2-methyl-4H-1,2,4-triazol-3-one
InChI:
InChI=1S/C3H4BrN3O/c1-7-3(8)5-2(4)6-7/h1H3,(H,5,6,8)
InChI Key:
JCBRCNSCPVADSI-UHFFFAOYSA-N
SMILES:
Brc1nn(c(n1)O)C
Properties
Complexity:
155  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.954g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.989g/mol
Monoisotopic Mass:
176.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties