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1249199-30-1 | Ethyl (3-fluoro-6-methylbenzoyl)acetate
CAS No: 1249199-30-1 Catalog No: AG01FC95 MDL No:
Product Description
Catalog Number:
AG01FC95
Chemical Name:
Ethyl (3-fluoro-6-methylbenzoyl)acetate
CAS Number:
1249199-30-1
Molecular Formula:
C12H13FO3
Molecular Weight:
224.2282
IUPAC Name:
ethyl 3-(5-fluoro-2-methylphenyl)-3-oxopropanoate
InChI:
InChI=1S/C12H13FO3/c1-3-16-12(15)7-11(14)10-6-9(13)5-4-8(10)2/h4-6H,3,7H2,1-2H3
InChI Key:
VGJUIZLAABNBIR-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(=O)CC(=O)OCC)F
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.231g/mol
Monoisotopic Mass:
224.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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