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Home > Aldehydes > 1119450-79-1
1119450-79-1 | 3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CAS No: 1119450-79-1 Catalog No: AG0090RA MDL No:MFCD12026829
Product Description
Catalog Number:
AG0090RA
Chemical Name:
3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CAS Number:
1119450-79-1
Molecular Formula:
C16H12N2O3
Molecular Weight:
280.2781
MDL Number:
MFCD12026829
IUPAC Name:
3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
InChI:
InChI=1S/C16H12N2O3/c19-10-12-5-4-6-13(9-12)16-17-15(21-18-16)11-20-14-7-2-1-3-8-14/h1-10H,11H2
InChI Key:
LYGAWYUALHLDSK-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1noc(n1)COc1ccccc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.283g/mol
Monoisotopic Mass:
280.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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