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Home > Imidazoles > 1021868-82-5
1021868-82-5 | 1H-Imidazole, 4,5-dihydro-2-(2-naphthalenyl)-, ethanedioate (1:1)
CAS No: 1021868-82-5 Catalog No: AG0006TN MDL No:
Product Description
Catalog Number:
AG0006TN
Chemical Name:
1H-Imidazole, 4,5-dihydro-2-(2-naphthalenyl)-, ethanedioate (1:1)
CAS Number:
1021868-82-5
Molecular Formula:
C15H14N2O4
Molecular Weight:
286.2827
IUPAC Name:
2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole;oxalic acid
InChI:
InChI=1S/C13H14N2S.C2H2O4/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9;3-1(4)2(5)6/h2-5H,6-8H2,1H3,(H,14,15);(H,3,4)(H,5,6)
InChI Key:
NCCZEUSBCPPRKS-UHFFFAOYSA-N
SMILES:
C1CN=C(N1)c1ccc2c(c1)cccc2.OC(=O)C(=O)O
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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