Home Halogens 3-bromo-4-methyl-1,2,4-triazole

3-bromo-4-methyl-1,2,4-triazole

CAS No.:
16681-73-5
Catalog Number:
AG00APBL
Molecular Formula:
C3H4BrN3
Molecular Weight:
161.9880
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Product Description
Catalog Number:
AG00APBL
Chemical Name:
3-bromo-4-methyl-1,2,4-triazole
CAS Number:
16681-73-5
Molecular Formula:
C3H4BrN3
Molecular Weight:
161.9880
IUPAC Name:
3-bromo-4-methyl-1,2,4-triazole
InChI:
InChI=1S/C3H4BrN3/c1-7-2-5-6-3(7)4/h2H,1H3
InChI Key:
PYMVKLCRJYMSGC-UHFFFAOYSA-N
SMILES:
Cn1cnnc1Br
Properties
Complexity:
67.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.959g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.99g/mol
Monoisotopic Mass:
160.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties