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1242339-66-7 | 3-(4-Cyano-2-fluorophenyl)benzaldehyde
CAS No: 1242339-66-7 Catalog No: AG01FCKV MDL No:
Product Description
Catalog Number:
AG01FCKV
Chemical Name:
3-(4-Cyano-2-fluorophenyl)benzaldehyde
CAS Number:
1242339-66-7
Molecular Formula:
C14H8FNO
Molecular Weight:
225.2178
IUPAC Name:
3-fluoro-4-(3-formylphenyl)benzonitrile
InChI:
InChI=1S/C14H8FNO/c15-14-7-10(8-16)4-5-13(14)12-3-1-2-11(6-12)9-17/h1-7,9H
InChI Key:
MPPXCISMPZILRF-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1ccc(cc1F)C#N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.222g/mol
Monoisotopic Mass:
225.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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