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105758-76-7 | 1,2,3-Triazinium, 2-methyl-4,6-diphenyl-, iodide
CAS No: 105758-76-7 Catalog No: AG00854F MDL No:
Product Description
Catalog Number:
AG00854F
Chemical Name:
1,2,3-Triazinium, 2-methyl-4,6-diphenyl-, iodide
CAS Number:
105758-76-7
Molecular Formula:
C16H16IN3
Molecular Weight:
377.2228
IUPAC Name:
2-methyl-4,6-diphenyl-1H-triazin-1-ium;iodide
InChI:
InChI=1S/C16H15N3.HI/c1-19-17-15(13-8-4-2-5-9-13)12-16(18-19)14-10-6-3-7-11-14;/h2-12,17H,1H3;1H
InChI Key:
GNFXZCUZQBZXFP-UHFFFAOYSA-N
SMILES:
CN1N=C(C=C([NH2+]1)c1ccccc1)c1ccccc1.[I-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.039g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.229g/mol
Monoisotopic Mass:
377.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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