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1311693-32-9 | 4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylfuran-3-yl)-2,5-dihydro-1,2-oxazol-5-imine
CAS No: 1311693-32-9 Catalog No: AG01AHL2 MDL No:MFCD13660088
Product Description
Catalog Number:
AG01AHL2
Chemical Name:
4-(2H-1,3-benzodioxol-5-yl)-3-(2-methylfuran-3-yl)-2,5-dihydro-1,2-oxazol-5-imine
CAS Number:
1311693-32-9
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
MDL Number:
MFCD13660088
IUPAC Name:
4-(1,3-benzodioxol-5-yl)-3-(2-methylfuran-3-yl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C15H12N2O4/c1-8-10(4-5-18-8)14-13(15(16)21-17-14)9-2-3-11-12(6-9)20-7-19-11/h2-6H,7,16H2,1H3
InChI Key:
GKTFOUJSWGOHAC-UHFFFAOYSA-N
SMILES:
N=c1o[nH]c(c1c1ccc2c(c1)OCO2)c1ccoc1C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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