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Home > Aldehydes > 914397-15-2
914397-15-2 | Benzaldehyde, 5-benzoyl-2-fluoro-4-methoxy-
CAS No: 914397-15-2 Catalog No: AG006AQ3 MDL No:
Product Description
Catalog Number:
AG006AQ3
Chemical Name:
Benzaldehyde, 5-benzoyl-2-fluoro-4-methoxy-
CAS Number:
914397-15-2
Molecular Formula:
C15H11FO3
Molecular Weight:
258.2444
IUPAC Name:
5-benzoyl-2-fluoro-4-methoxybenzaldehyde
InChI:
InChI=1S/C15H11FO3/c1-19-14-8-13(16)11(9-17)7-12(14)15(18)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
KSPKXBWRPQSRSW-UHFFFAOYSA-N
SMILES:
COc1cc(F)c(cc1C(=O)c1ccccc1)C=O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.069g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.248g/mol
Monoisotopic Mass:
258.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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