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22713-35-5 | 1,3-Dimethyl-1H-1,2,3-benzotriazol-3-ium iodide
CAS No: 22713-35-5 Catalog No: AG01EUKA MDL No:
Product Description
Catalog Number:
AG01EUKA
Chemical Name:
1,3-Dimethyl-1H-1,2,3-benzotriazol-3-ium iodide
CAS Number:
22713-35-5
Molecular Formula:
C8H10IN3
Molecular Weight:
275.0896
IUPAC Name:
1,3-dimethylbenzotriazol-3-ium;iodide
InChI:
InChI=1S/C8H10N3.HI/c1-10-7-5-3-4-6-8(7)11(2)9-10;/h3-6H,1-2H3;1H/q+1;/p-1
InChI Key:
PREKKAGLNLTYPX-UHFFFAOYSA-M
SMILES:
C[n+]1nn(c2c1cccc2)C.[I-]
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.093g/mol
Monoisotopic Mass:
274.992g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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