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109439-90-9 | 1H-Benzotriazolium,1,2-dimethyl-, iodide (1:1)
CAS No: 109439-90-9 Catalog No: AG0082FO MDL No:
Product Description
Catalog Number:
AG0082FO
Chemical Name:
1H-Benzotriazolium,1,2-dimethyl-, iodide (1:1)
CAS Number:
109439-90-9
Molecular Formula:
C8H12IN3
Molecular Weight:
277.1055
IUPAC Name:
1,2-dimethyl-1,3-dihydrobenzotriazol-1-ium;iodide
InChI:
InChI=1S/C8H11N3.HI/c1-10-8-6-4-3-5-7(8)9-11(10)2;/h3-6,9H,1-2H3;1H
InChI Key:
BQCVAMGDUJVGIQ-UHFFFAOYSA-N
SMILES:
C[NH+]1N(C)Nc2c1cccc2.[I-]
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.109g/mol
Monoisotopic Mass:
277.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
19.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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