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Home > Aldehydes > 656234-52-5
656234-52-5 | Benzaldehyde, 5-(1,2-dihydro-5-hydroxy-1-oxo-4-isoquinolinyl)-2-fluoro-
CAS No: 656234-52-5 Catalog No: AG006QH0 MDL No:
Product Description
Catalog Number:
AG006QH0
Chemical Name:
Benzaldehyde, 5-(1,2-dihydro-5-hydroxy-1-oxo-4-isoquinolinyl)-2-fluoro-
CAS Number:
656234-52-5
Molecular Formula:
C16H10FNO3
Molecular Weight:
283.2539
IUPAC Name:
2-fluoro-5-(5-hydroxy-1-oxo-2H-isoquinolin-4-yl)benzaldehyde
InChI:
InChI=1S/C16H10FNO3/c17-13-5-4-9(6-10(13)8-19)12-7-18-16(21)11-2-1-3-14(20)15(11)12/h1-8,20H,(H,18,21)
InChI Key:
IGLWAKNFPAWUMX-UHFFFAOYSA-N
SMILES:
O=Cc1cc(ccc1F)c1c[nH]c(=O)c2c1c(O)ccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.064g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.258g/mol
Monoisotopic Mass:
283.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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