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Home > Aldehydes > 859517-98-9
859517-98-9 | Benzaldehyde,3-(2-fluoro-4-pyridinyl)-
CAS No: 859517-98-9 Catalog No: AG004QLE MDL No:
Product Description
Catalog Number:
AG004QLE
Chemical Name:
Benzaldehyde,3-(2-fluoro-4-pyridinyl)-
CAS Number:
859517-98-9
Molecular Formula:
C14H11NO3
Molecular Weight:
241.2420
IUPAC Name:
methyl 4-(3-formylphenyl)pyridine-2-carboxylate
InChI:
InChI=1S/C14H11NO3/c1-18-14(17)13-8-12(5-6-15-13)11-4-2-3-10(7-11)9-16/h2-9H,1H3
InChI Key:
ILONSEIFVZJQQK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nccc(c1)c1cccc(c1)C=O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.246g/mol
Monoisotopic Mass:
241.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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