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88059-66-9 | 1H-1,2,4-Triazole, 1-[2-methoxy-3,3-dimethyl-2-(phenoxymethyl)butyl]-
CAS No: 88059-66-9 Catalog No: AG004FG6 MDL No:
Product Description
Catalog Number:
AG004FG6
Chemical Name:
1H-1,2,4-Triazole, 1-[2-methoxy-3,3-dimethyl-2-(phenoxymethyl)butyl]-
CAS Number:
88059-66-9
Molecular Formula:
C16H23N3O2
Molecular Weight:
289.3727
IUPAC Name:
1-[2-methoxy-3,3-dimethyl-2-(phenoxymethyl)butyl]-1,2,4-triazole
InChI:
InChI=1S/C16H23N3O2/c1-15(2,3)16(20-4,10-19-13-17-12-18-19)11-21-14-8-6-5-7-9-14/h5-9,12-13H,10-11H2,1-4H3
InChI Key:
SHYKEODQWSNEQX-UHFFFAOYSA-N
SMILES:
COC(C(C)(C)C)(Cn1cncn1)COc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.379g/mol
Monoisotopic Mass:
289.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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