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100075-75-0 | 4H-3,1-Benzoxazin-4-one, 5-ethyl-2-[(1-methylethyl)amino]-
CAS No: 100075-75-0 Catalog No: AG0000TU MDL No:
Product Description
Catalog Number:
AG0000TU
Chemical Name:
4H-3,1-Benzoxazin-4-one, 5-ethyl-2-[(1-methylethyl)amino]-
CAS Number:
100075-75-0
Molecular Formula:
C13H16N2O2
Molecular Weight:
232.2783
IUPAC Name:
5-ethyl-2-(propan-2-ylamino)-3,1-benzoxazin-4-one
InChI:
InChI=1S/C13H16N2O2/c1-4-9-6-5-7-10-11(9)12(16)17-13(15-10)14-8(2)3/h5-8H,4H2,1-3H3,(H,14,15)
InChI Key:
GTAYSONAZGTZAS-UHFFFAOYSA-N
SMILES:
CCc1cccc2c1c(=O)oc(n2)NC(C)C
Properties
Complexity:
325
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.283g/mol
Monoisotopic Mass:
232.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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