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Home > Fluorides > 138485-30-0
138485-30-0 | Propanedioic acid, 2-(4-fluorophenyl)-, 1,3-dimethyl ester
CAS No: 138485-30-0 Catalog No: AG001992 MDL No:
Product Description
Catalog Number:
AG001992
Chemical Name:
Propanedioic acid, 2-(4-fluorophenyl)-, 1,3-dimethyl ester
CAS Number:
138485-30-0
Molecular Formula:
C11H11FO4
Molecular Weight:
226.2010
IUPAC Name:
dimethyl 2-(4-fluorophenyl)propanedioate
InChI:
InChI=1S/C11H11FO4/c1-15-10(13)9(11(14)16-2)7-3-5-8(12)6-4-7/h3-6,9H,1-2H3
InChI Key:
JWJAHPXFKKPJRD-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)F)C(=O)OC
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.203g/mol
Monoisotopic Mass:
226.064g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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