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Home > Fluorides > 951888-37-2
951888-37-2 | Ethyl 3-(1,3-dioxan-2-yl)-4-fluorobenzoylformate
CAS No: 951888-37-2 Catalog No: AG01F9OI MDL No:
Product Description
Catalog Number:
AG01F9OI
Chemical Name:
Ethyl 3-(1,3-dioxan-2-yl)-4-fluorobenzoylformate
CAS Number:
951888-37-2
Molecular Formula:
C14H15FO5
Molecular Weight:
282.2643
IUPAC Name:
ethyl 2-[3-(1,3-dioxan-2-yl)-4-fluorophenyl]-2-oxoacetate
InChI:
InChI=1S/C14H15FO5/c1-2-18-13(17)12(16)9-4-5-11(15)10(8-9)14-19-6-3-7-20-14/h4-5,8,14H,2-3,6-7H2,1H3
InChI Key:
QTVMELCYKQGRKD-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=O)c1ccc(c(c1)C1OCCCO1)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.267g/mol
Monoisotopic Mass:
282.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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