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Home > Imidazoles > 678173-46-1
678173-46-1 | 1H-BENZOTRIAZOLE, 1-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFONYL]-
CAS No: 678173-46-1 Catalog No: AG006IX6 MDL No:
Product Description
Catalog Number:
AG006IX6
Chemical Name:
1H-BENZOTRIAZOLE, 1-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFONYL]-
CAS Number:
678173-46-1
Molecular Formula:
C10H9N5O2S
Molecular Weight:
263.2758
IUPAC Name:
1-(1-methylimidazol-2-yl)sulfonylbenzotriazole
InChI:
InChI=1S/C10H9N5O2S/c1-14-7-6-11-10(14)18(16,17)15-9-5-3-2-4-8(9)12-13-15/h2-7H,1H3
InChI Key:
KDGLMFWCSIJBNN-UHFFFAOYSA-N
SMILES:
Cn1ccnc1S(=O)(=O)n1nnc2c1cccc2
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.048g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.275g/mol
Monoisotopic Mass:
263.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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