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89782-07-0 | 1-Naphthalenecarboxamide, 5,6-dihydro-7-(1H-imidazol-1-yl)-
CAS No: 89782-07-0 Catalog No: AG004091 MDL No:
Product Description
Catalog Number:
AG004091
Chemical Name:
1-Naphthalenecarboxamide, 5,6-dihydro-7-(1H-imidazol-1-yl)-
CAS Number:
89782-07-0
Molecular Formula:
C14H13N3O
Molecular Weight:
239.2725
IUPAC Name:
7-imidazol-1-yl-5,6-dihydronaphthalene-1-carboxamide
InChI:
InChI=1S/C14H13N3O/c15-14(18)12-3-1-2-10-4-5-11(8-13(10)12)17-7-6-16-9-17/h1-3,6-9H,4-5H2,(H2,15,18)
InChI Key:
GGEAYUIEJNPPOU-UHFFFAOYSA-N
SMILES:
NC(=O)c1cccc2c1C=C(CC2)n1ccnc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.278g/mol
Monoisotopic Mass:
239.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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