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Home > Aldehydes > 122320-76-7
122320-76-7 | Benzaldehyde, 4-[2-(2-benzoxazolylmethylamino)ethoxy]-
CAS No: 122320-76-7 Catalog No: AG00173Z MDL No:
Product Description
Catalog Number:
AG00173Z
Chemical Name:
Benzaldehyde, 4-[2-(2-benzoxazolylmethylamino)ethoxy]-
CAS Number:
122320-76-7
Molecular Formula:
C17H16N2O3
Molecular Weight:
296.3205
IUPAC Name:
4-[2-(1,3-benzoxazol-2-ylmethylamino)ethoxy]benzaldehyde
InChI:
InChI=1S/C17H16N2O3/c20-12-13-5-7-14(8-6-13)21-10-9-18-11-17-19-15-3-1-2-4-16(15)22-17/h1-8,12,18H,9-11H2
InChI Key:
OIDYXGCDXIIXFP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCCNCc1nc2c(o1)cccc2
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.116g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.326g/mol
Monoisotopic Mass:
296.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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