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Home > Fluorides > 1443335-61-2
1443335-61-2 | O2-Ethyl O1-[2-(3-fluoro-6-methylphenyl)ethyl] oxalate
CAS No: 1443335-61-2 Catalog No: AG01F81K MDL No:
Product Description
Catalog Number:
AG01F81K
Chemical Name:
O2-Ethyl O1-[2-(3-fluoro-6-methylphenyl)ethyl] oxalate
CAS Number:
1443335-61-2
Molecular Formula:
C13H15FO4
Molecular Weight:
254.2542
IUPAC Name:
1-O-ethyl 2-O-[2-(5-fluoro-2-methylphenyl)ethyl] oxalate
InChI:
InChI=1S/C13H15FO4/c1-3-17-12(15)13(16)18-7-6-10-8-11(14)5-4-9(10)2/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
VUTQVVFAVJXRGP-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CCOC(=O)C(=O)OCC)F
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.257g/mol
Monoisotopic Mass:
254.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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