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Home > Fluorides > 187838-02-4
187838-02-4 | Benzenepropanal, α-fluoro-α-methyl-β-oxo-
CAS No: 187838-02-4 Catalog No: AG002GJ9 MDL No:
Product Description
Catalog Number:
AG002GJ9
Chemical Name:
Benzenepropanal, α-fluoro-α-methyl-β-oxo-
CAS Number:
187838-02-4
Molecular Formula:
C10H9FO2
Molecular Weight:
180.1757
IUPAC Name:
2-fluoro-2-methyl-3-oxo-3-phenylpropanal
InChI:
InChI=1S/C10H9FO2/c1-10(11,7-12)9(13)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
CTMKZBGUVWJQSD-UHFFFAOYSA-N
SMILES:
O=CC(C(=O)c1ccccc1)(F)C
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.178g/mol
Monoisotopic Mass:
180.059g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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