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115835-55-7 | 1H-Imidazole-5-carboxylic acid, 4-methyl-2-(1-naphthalenyl)-, ethyl ester
CAS No: 115835-55-7 Catalog No: AG000GXF MDL No:
Product Description
Catalog Number:
AG000GXF
Chemical Name:
1H-Imidazole-5-carboxylic acid, 4-methyl-2-(1-naphthalenyl)-, ethyl ester
CAS Number:
115835-55-7
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
InChI:
InChI=1S/C17H16N2O2/c1-3-21-17(20)15-11(2)18-16(19-15)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3H2,1-2H3,(H,18,19)
InChI Key:
BULJPUNWEGWHTE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(nc1C)c1cccc2c1cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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