Home Halogens 1H-1,2,4-Triazole,3-bromo-1-ethyl-(9CI)

1H-1,2,4-Triazole,3-bromo-1-ethyl-(9CI)

CAS No.:
64907-54-6
Catalog Number:
AG00EJWD
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
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Product Description
Catalog Number:
AG00EJWD
Chemical Name:
1H-1,2,4-Triazole,3-bromo-1-ethyl-(9CI)
CAS Number:
64907-54-6
Molecular Formula:
C4H6BrN3
Molecular Weight:
176.0145
MDL Number:
MFCD18807061
IUPAC Name:
3-bromo-1-ethyl-1,2,4-triazole
InChI:
InChI=1S/C4H6BrN3/c1-2-8-3-6-4(5)7-8/h3H,2H2,1H3
InChI Key:
IPDWEAXPUUZRBK-UHFFFAOYSA-N
SMILES:
CCn1cnc(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:
0
Isotope Atom Count:
0
Molecular Weight:
176.017g/mol
Monoisotopic Mass:
174.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties