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54230-60-3 | 1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole
CAS No: 54230-60-3 Catalog No: AG003B0V MDL No:MFCD00014089
Product Description
Catalog Number:
AG003B0V
Chemical Name:
1-((2,4,6-Triisopropylphenyl)sulfonyl)-1H-1,2,4-triazole
CAS Number:
54230-60-3
Molecular Formula:
C17H25N3O2S
Molecular Weight:
335.4643
MDL Number:
MFCD00014089
IUPAC Name:
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-1,2,4-triazole
InChI:
InChI=1S/C17H25N3O2S/c1-11(2)14-7-15(12(3)4)17(16(8-14)13(5)6)23(21,22)20-10-18-9-19-20/h7-13H,1-6H3
InChI Key:
BKJMMUUBRUWPPQ-UHFFFAOYSA-N
SMILES:
CC(c1cc(cc(c1S(=O)(=O)n1cncn1)C(C)C)C(C)C)C
EC Number:
259-035-7
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.167g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.466g/mol
Monoisotopic Mass:
335.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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