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87149-84-6 | Benzamide, N-[3-(diethoxymethyl)-4-isoxazolyl]-
CAS No: 87149-84-6 Catalog No: AG004TA5 MDL No:
Product Description
Catalog Number:
AG004TA5
Chemical Name:
Benzamide, N-[3-(diethoxymethyl)-4-isoxazolyl]-
CAS Number:
87149-84-6
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
IUPAC Name:
N-[3-(diethoxymethyl)-1,2-oxazol-4-yl]benzamide
InChI:
InChI=1S/C15H18N2O4/c1-3-19-15(20-4-2)13-12(10-21-17-13)16-14(18)11-8-6-5-7-9-11/h5-10,15H,3-4H2,1-2H3,(H,16,18)
InChI Key:
NNFVMOSYLCUUNH-UHFFFAOYSA-N
SMILES:
CCOC(c1nocc1NC(=O)c1ccccc1)OCC
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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