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116932-78-6 | 1H-1,2,3-Triazole, 4-bromo-1-methyl-, 3-oxide
CAS No: 116932-78-6 Catalog No: AG000DEK MDL No:MFCD21604059
Product Description
Catalog Number:
AG000DEK
Chemical Name:
1H-1,2,3-Triazole, 4-bromo-1-methyl-, 3-oxide
CAS Number:
116932-78-6
Molecular Formula:
C3H4BrN3O
Molecular Weight:
177.9874
MDL Number:
MFCD21604059
IUPAC Name:
4-bromo-1-methyl-3-oxidotriazol-3-ium
InChI:
InChI=1S/C3H4BrN3O/c1-6-2-3(4)7(8)5-6/h2H,1H3
InChI Key:
ZYGSCBJPIWBNKF-UHFFFAOYSA-N
SMILES:
[O-][n+]1nn(cc1Br)C
Properties
Complexity:
90.6
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:
0
Isotope Atom Count:
0
Molecular Weight:
177.989g/mol
Monoisotopic Mass:
176.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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