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Home > Imidazoles > 1314987-30-8
1314987-30-8 | 1H-Benzimidazole, 1-(1,1-dimethylethyl)-6-ethoxy-
CAS No: 1314987-30-8 Catalog No: AG000WBW MDL No:MFCD19684117
Product Description
Catalog Number:
AG000WBW
Chemical Name:
1H-Benzimidazole, 1-(1,1-dimethylethyl)-6-ethoxy-
CAS Number:
1314987-30-8
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
MDL Number:
MFCD19684117
IUPAC Name:
1-tert-butyl-6-ethoxybenzimidazole
InChI:
InChI=1S/C13H18N2O/c1-5-16-10-6-7-11-12(8-10)15(9-14-11)13(2,3)4/h6-9H,5H2,1-4H3
InChI Key:
BBILNFAVMQFQIT-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)n(cn2)C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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