200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 114017-54-8
114017-54-8 | Ethanone, 1-[butoxy[1-(1H-imidazol-1-yl)ethenyl]naphthalenyl]- (9CI)
CAS No: 114017-54-8 Catalog No: AG000ABE MDL No:
Product Description
Catalog Number:
AG000ABE
Chemical Name:
Ethanone, 1-[butoxy[1-(1H-imidazol-1-yl)ethenyl]naphthalenyl]- (9CI)
CAS Number:
114017-54-8
Molecular Formula:
C21H22N2O2
Molecular Weight:
334.4116
IUPAC Name:
1-[3-butoxy-2-(1-imidazol-1-ylethenyl)naphthalen-1-yl]ethanone
InChI:
InChI=1S/C21H22N2O2/c1-4-5-12-25-19-13-17-8-6-7-9-18(17)21(16(3)24)20(19)15(2)23-11-10-22-14-23/h6-11,13-14H,2,4-5,12H2,1,3H3
InChI Key:
OQEROEVRNKZQLB-UHFFFAOYSA-N
SMILES:
CCCCOc1cc2ccccc2c(c1C(=C)n1cncc1)C(=O)C
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.168g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.419g/mol
Monoisotopic Mass:
334.168g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.