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1242340-04-0 | 3-(5-Cyano-2-fluorophenyl)benzaldehyde
CAS No: 1242340-04-0 Catalog No: AG01FCKW MDL No:
Product Description
Catalog Number:
AG01FCKW
Chemical Name:
3-(5-Cyano-2-fluorophenyl)benzaldehyde
CAS Number:
1242340-04-0
Molecular Formula:
C14H8FNO
Molecular Weight:
225.2178
IUPAC Name:
4-fluoro-3-(3-formylphenyl)benzonitrile
InChI:
InChI=1S/C14H8FNO/c15-14-5-4-10(8-16)7-13(14)12-3-1-2-11(6-12)9-17/h1-7,9H
InChI Key:
QYNVJZXOJKEJQN-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1cc(C#N)ccc1F
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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