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82326-48-5 | 1H-Benzimidazole, 2-[(4-ethylphenoxy)methyl]-
CAS No: 82326-48-5 Catalog No: AG008KKQ MDL No:
Product Description
Catalog Number:
AG008KKQ
Chemical Name:
1H-Benzimidazole, 2-[(4-ethylphenoxy)methyl]-
CAS Number:
82326-48-5
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
2-[(4-ethylphenoxy)methyl]-1H-benzimidazole
InChI:
InChI=1S/C16H16N2O/c1-2-12-7-9-13(10-8-12)19-11-16-17-14-5-3-4-6-15(14)18-16/h3-10H,2,11H2,1H3,(H,17,18)
InChI Key:
PLYCVBWGNLHEAQ-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)OCc1nc2c([nH]1)cccc2
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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