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Home > Imidazoles > 88630-05-1
88630-05-1 | 1H-Imidazole, 1-[[2-(1,1-dimethylethyl)-3-phenyloxiranyl]methyl]-
CAS No: 88630-05-1 Catalog No: AG004BQC MDL No:
Product Description
Catalog Number:
AG004BQC
Chemical Name:
1H-Imidazole, 1-[[2-(1,1-dimethylethyl)-3-phenyloxiranyl]methyl]-
CAS Number:
88630-05-1
Molecular Formula:
C16H20N2O
Molecular Weight:
256.3428
IUPAC Name:
1-[(2-tert-butyl-3-phenyloxiran-2-yl)methyl]imidazole
InChI:
InChI=1S/C16H20N2O/c1-15(2,3)16(11-18-10-9-17-12-18)14(19-16)13-7-5-4-6-8-13/h4-10,12,14H,11H2,1-3H3
InChI Key:
MJNDJKNNCSOJGP-UHFFFAOYSA-N
SMILES:
CC(C1(Cn2cncc2)OC1c1ccccc1)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.349g/mol
Monoisotopic Mass:
256.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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