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1736-67-0 | Benzeneacetaldehyde, 4-fluoro-
CAS No: 1736-67-0 Catalog No: AG001Z27 MDL No:MFCD02261761
Product Description
Catalog Number:
AG001Z27
Chemical Name:
Benzeneacetaldehyde, 4-fluoro-
CAS Number:
1736-67-0
Molecular Formula:
C8H7FO
Molecular Weight:
138.1390
MDL Number:
MFCD02261761
IUPAC Name:
2-(4-fluorophenyl)acetaldehyde
InChI:
InChI=1S/C8H7FO/c9-8-3-1-7(2-4-8)5-6-10/h1-4,6H,5H2
InChI Key:
KCXZRESSSSYYCW-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(cc1)F
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.048g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.141g/mol
Monoisotopic Mass:
138.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| High-resolution ultraviolet spectroscopy of p-fluorostyrene-water: evidence for a sigma-type hydrogen-bonded dimer. | The Journal of chemical physics 20050622 |
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