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1578-79-6 | Propanedioic acid, 2-fluoro-2-(phenylmethyl)-, 1,3-diethyl ester
CAS No: 1578-79-6 Catalog No: AG001PPT MDL No:
Product Description
Catalog Number:
AG001PPT
Chemical Name:
Propanedioic acid, 2-fluoro-2-(phenylmethyl)-, 1,3-diethyl ester
CAS Number:
1578-79-6
Molecular Formula:
C14H17FO4
Molecular Weight:
268.2808
IUPAC Name:
diethyl 2-benzyl-2-fluoropropanedioate
InChI:
InChI=1S/C14H17FO4/c1-3-18-12(16)14(15,13(17)19-4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChI Key:
NDISTXGDWZTZPS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(Cc1ccccc1)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:
268.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.284g/mol
Monoisotopic Mass:
268.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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