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57592-43-5 | 2-Fluoro-[1,1'-biphenyl]-4-carbaldehyde
CAS No: 57592-43-5 Catalog No: AG003H8F MDL No:
Product Description
Catalog Number:
AG003H8F
Chemical Name:
2-Fluoro-[1,1'-biphenyl]-4-carbaldehyde
CAS Number:
57592-43-5
Molecular Formula:
C13H9FO
Molecular Weight:
200.2084
IUPAC Name:
3-fluoro-4-phenylbenzaldehyde
InChI:
InChI=1S/C13H9FO/c14-13-8-10(9-15)6-7-12(13)11-4-2-1-3-5-11/h1-9H
InChI Key:
BBFKVFLWRKZSPM-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)F)c1ccccc1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.212g/mol
Monoisotopic Mass:
200.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold. | Journal of medicinal chemistry 20120308 |
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