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81593-26-2 | 2-(4-fluoro-3-methylphenyl)-2-oxoacetaldehyde
CAS No: 81593-26-2 Catalog No: AG01A1OM MDL No:MFCD08448035
Product Description
Catalog Number:
AG01A1OM
Chemical Name:
2-(4-fluoro-3-methylphenyl)-2-oxoacetaldehyde
CAS Number:
81593-26-2
Molecular Formula:
C9H7FO2
Molecular Weight:
166.1491
MDL Number:
MFCD08448035
IUPAC Name:
2-(4-fluoro-3-methylphenyl)-2-oxoacetaldehyde
InChI:
InChI=1S/C9H7FO2/c1-6-4-7(9(12)5-11)2-3-8(6)10/h2-5H,1H3
InChI Key:
WGYLZNZFHRVNHH-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc(c(c1)C)F
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.151g/mol
Monoisotopic Mass:
166.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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