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1248905-66-9 | 2-(3-Fluoro-4-methylbenzoyl)furan
CAS No: 1248905-66-9 Catalog No: AG01FEC6 MDL No:
Product Description
Catalog Number:
AG01FEC6
Chemical Name:
2-(3-Fluoro-4-methylbenzoyl)furan
CAS Number:
1248905-66-9
Molecular Formula:
C12H9FO2
Molecular Weight:
204.1971
IUPAC Name:
(3-fluoro-4-methylphenyl)-(furan-2-yl)methanone
InChI:
InChI=1S/C12H9FO2/c1-8-4-5-9(7-10(8)13)12(14)11-3-2-6-15-11/h2-7H,1H3
InChI Key:
NQNKTCIDIVAPBJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1F)C(=O)c1ccco1
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.059g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.2g/mol
Monoisotopic Mass:
204.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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