Home Halogens 1H-1,2,3-Triazole, 5-bromo-1-methyl-

1H-1,2,3-Triazole, 5-bromo-1-methyl-

CAS No.:
16681-82-6
Catalog Number:
AG00AT3K
Molecular Formula:
C3H4BrN3
Molecular Weight:
161.9880
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Product Description
Catalog Number:
AG00AT3K
Chemical Name:
1H-1,2,3-Triazole, 5-bromo-1-methyl-
CAS Number:
16681-82-6
Molecular Formula:
C3H4BrN3
Molecular Weight:
161.9880
MDL Number:
MFCD13190021
IUPAC Name:
5-bromo-1-methyltriazole
InChI:
InChI=1S/C3H4BrN3/c1-7-3(4)2-5-6-7/h2H,1H3
InChI Key:
ZTGUHAUTOFRQDE-UHFFFAOYSA-N
SMILES:
Cn1nncc1Br
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:
0.7  
Properties