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Home > Fluorides > 100701-57-3
100701-57-3 | Propanedioic acid, 2-fluoro-2-(phenylmethyl)-, 1-ethyl ester
CAS No: 100701-57-3 Catalog No: AG0002O1 MDL No:
Product Description
Catalog Number:
AG0002O1
Chemical Name:
Propanedioic acid, 2-fluoro-2-(phenylmethyl)-, 1-ethyl ester
CAS Number:
100701-57-3
Molecular Formula:
C12H12FO4-
Molecular Weight:
239.2197
IUPAC Name:
2-benzyl-3-ethoxy-2-fluoro-3-oxopropanoate
InChI:
InChI=1S/C12H13FO4/c1-2-17-11(16)12(13,10(14)15)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15)/p-1
InChI Key:
HEACKWIXVYCZIX-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(C(=O)[O-])(Cc1ccccc1)F
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.072g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.222g/mol
Monoisotopic Mass:
239.072g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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