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69155-78-8

69155-78-8 | 7-Fluorochromone-3-carboxaldehyde

CAS No: 69155-78-8 Catalog No: AG003NFD MDL No:MFCD12027720

Product Description

Catalog Number:
AG003NFD
Chemical Name:
7-Fluorochromone-3-carboxaldehyde
CAS Number:
69155-78-8
Molecular Formula:
C10H5FO3
Molecular Weight:
192.1433
MDL Number:
MFCD12027720
IUPAC Name:
7-fluoro-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5FO3/c11-7-1-2-8-9(3-7)14-5-6(4-12)10(8)13/h1-5H
InChI Key:
QSWSDWVNEPDHIG-UHFFFAOYSA-N
SMILES:
O=Cc1coc2c(c1=O)ccc(c2)F

Properties

Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.022g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.145g/mol
Monoisotopic Mass:
192.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

Literature

Title Journal
9-(7-Fluoro-4-oxo-4H-chromen-3-yl)-3,3,6,6-tetra-methyl-2,3,4,5,6,7,8,9-octa-hydro-1H-xanthene-1,8-dione. Acta crystallographica. Section E, Structure reports online 20120101
7-Fluoro-4-oxochromene-3-carbaldehyde. Acta crystallographica. Section E, Structure reports online 20110401

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