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111858-59-4 | 2(3H)-Benzoxazolone, 6-benzoyl-3-(4-morpholinylmethyl)-
CAS No: 111858-59-4 Catalog No: AG007DH3 MDL No:
Product Description
Catalog Number:
AG007DH3
Chemical Name:
2(3H)-Benzoxazolone, 6-benzoyl-3-(4-morpholinylmethyl)-
CAS Number:
111858-59-4
Molecular Formula:
C19H18N2O4
Molecular Weight:
338.3572
IUPAC Name:
6-benzoyl-3-(morpholin-4-ylmethyl)-1,3-benzoxazol-2-one
InChI:
InChI=1S/C19H18N2O4/c22-18(14-4-2-1-3-5-14)15-6-7-16-17(12-15)25-19(23)21(16)13-20-8-10-24-11-9-20/h1-7,12H,8-11,13H2
InChI Key:
HNMKUHJWFZEPPK-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1)oc(=O)n2CN1CCOCC1)c1ccccc1
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.127g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.363g/mol
Monoisotopic Mass:
338.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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