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89219-29-4 | 1H-1,2,4-Triazole, 1-[(2,4-diphenyl-1,3-dioxolan-4-yl)methyl]-
CAS No: 89219-29-4 Catalog No: AG0044YO MDL No:
Product Description
Catalog Number:
AG0044YO
Chemical Name:
1H-1,2,4-Triazole, 1-[(2,4-diphenyl-1,3-dioxolan-4-yl)methyl]-
CAS Number:
89219-29-4
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
IUPAC Name:
1-[(2,4-diphenyl-1,3-dioxolan-4-yl)methyl]-1,2,4-triazole
InChI:
InChI=1S/C18H17N3O2/c1-3-7-15(8-4-1)17-22-12-18(23-17,11-21-14-19-13-20-21)16-9-5-2-6-10-16/h1-10,13-14,17H,11-12H2
InChI Key:
CEJAUEWESBRRME-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1OCC(O1)(Cn1ncnc1)c1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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