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124041-07-2 | Acetic acid, 2-[[6-(4-fluorophenoxy)-4-pyrimidinyl]thio]-, ethyl ester
CAS No: 124041-07-2 Catalog No: AG000LFZ MDL No:
Product Description
Catalog Number:
AG000LFZ
Chemical Name:
Acetic acid, 2-[[6-(4-fluorophenoxy)-4-pyrimidinyl]thio]-, ethyl ester
CAS Number:
124041-07-2
Molecular Formula:
C14H13FN2O3S
Molecular Weight:
308.3280
IUPAC Name:
ethyl 2-[6-(4-fluorophenoxy)pyrimidin-4-yl]sulfanylacetate
InChI:
InChI=1S/C14H13FN2O3S/c1-2-19-14(18)8-21-13-7-12(16-9-17-13)20-11-5-3-10(15)4-6-11/h3-7,9H,2,8H2,1H3
InChI Key:
DMTPBKUSYJWDLM-UHFFFAOYSA-N
SMILES:
CCOC(=O)CSc1ncnc(c1)Oc1ccc(cc1)F
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.327g/mol
Monoisotopic Mass:
308.063g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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