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Home > Aldehydes > 300664-79-3
300664-79-3 | 2-(3-Nitro-benzoyl)-benzofuran-5-carbaldehyde
CAS No: 300664-79-3 Catalog No: AG01EUQG MDL No:
Product Description
Catalog Number:
AG01EUQG
Chemical Name:
2-(3-Nitro-benzoyl)-benzofuran-5-carbaldehyde
CAS Number:
300664-79-3
Molecular Formula:
C16H9NO5
Molecular Weight:
295.2464
IUPAC Name:
2-(3-nitrobenzoyl)-1-benzofuran-5-carbaldehyde
InChI:
InChI=1S/C16H9NO5/c18-9-10-4-5-14-12(6-10)8-15(22-14)16(19)11-2-1-3-13(7-11)17(20)21/h1-9H
InChI Key:
IWAIXMUXSLYQRE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)cc(o2)C(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.048g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.25g/mol
Monoisotopic Mass:
295.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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