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Home > Aldehydes > 141581-19-3
141581-19-3 | Benzaldehyde, 3-(2-benzoxazolyl)-
CAS No: 141581-19-3 Catalog No: AG001GM0 MDL No:
Product Description
Catalog Number:
AG001GM0
Chemical Name:
Benzaldehyde, 3-(2-benzoxazolyl)-
CAS Number:
141581-19-3
Molecular Formula:
C14H9NO2
Molecular Weight:
223.2268
IUPAC Name:
3-(1,3-benzoxazol-2-yl)benzaldehyde
InChI:
InChI=1S/C14H9NO2/c16-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)17-14/h1-9H
InChI Key:
SSNDEEIZRMIJNL-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nc2c(o1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.231g/mol
Monoisotopic Mass:
223.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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