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113501-43-2 | 2H-1,4-Benzoxazin-2-one, 7-(diethylamino)-3-methyl-
CAS No: 113501-43-2 Catalog No: AG0008T6 MDL No:
Product Description
Catalog Number:
AG0008T6
Chemical Name:
2H-1,4-Benzoxazin-2-one, 7-(diethylamino)-3-methyl-
CAS Number:
113501-43-2
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
7-(diethylamino)-3-methyl-1,4-benzoxazin-2-one
InChI:
InChI=1S/C13H16N2O2/c1-4-15(5-2)10-6-7-11-12(8-10)17-13(16)9(3)14-11/h6-8H,4-5H2,1-3H3
InChI Key:
SJRBYCPLXCIHOI-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)c(n2)C)CC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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