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73076-34-3 | 4-Isoxazolecarboxamide, N-(4-benzoylphenyl)-5-methyl-
CAS No: 73076-34-3 Catalog No: AG005CIZ MDL No:
Product Description
Catalog Number:
AG005CIZ
Chemical Name:
4-Isoxazolecarboxamide, N-(4-benzoylphenyl)-5-methyl-
CAS Number:
73076-34-3
Molecular Formula:
C18H14N2O3
Molecular Weight:
306.3154
IUPAC Name:
N-(4-benzoylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C18H14N2O3/c1-12-16(11-19-23-12)18(22)20-15-9-7-14(8-10-15)17(21)13-5-3-2-4-6-13/h2-11H,1H3,(H,20,22)
InChI Key:
VRRKESFVUKKBDG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)c1ccc(cc1)NC(=O)c1cnoc1C
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.321g/mol
Monoisotopic Mass:
306.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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