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Home > Aldehydes > 1507353-12-9
1507353-12-9 | Benzaldehyde, 5-nitro-2-[2-(2-phenylethynyl)phenoxy]-
CAS No: 1507353-12-9 Catalog No: AG001MTD MDL No:
Product Description
Catalog Number:
AG001MTD
Chemical Name:
Benzaldehyde, 5-nitro-2-[2-(2-phenylethynyl)phenoxy]-
CAS Number:
1507353-12-9
Molecular Formula:
C21H13NO4
Molecular Weight:
343.3322
IUPAC Name:
5-nitro-2-[2-(2-phenylethynyl)phenoxy]benzaldehyde
InChI:
InChI=1S/C21H13NO4/c23-15-18-14-19(22(24)25)12-13-21(18)26-20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H
InChI Key:
MQWJKFRXJPDDIM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1Oc1ccccc1C#Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.084g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.338g/mol
Monoisotopic Mass:
343.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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