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Home > Fluorides > 1256633-20-1
1256633-20-1 | Benzoic acid, 5-fluoro-2-(4-morpholinyl)-, methyl ester
CAS No: 1256633-20-1 Catalog No: AG000OA9 MDL No:MFCD18071006
Product Description
Catalog Number:
AG000OA9
Chemical Name:
Benzoic acid, 5-fluoro-2-(4-morpholinyl)-, methyl ester
CAS Number:
1256633-20-1
Molecular Formula:
C12H14FNO3
Molecular Weight:
239.2429
MDL Number:
MFCD18071006
IUPAC Name:
methyl 5-fluoro-2-morpholin-4-ylbenzoate
InChI:
InChI=1S/C12H14FNO3/c1-16-12(15)10-8-9(13)2-3-11(10)14-4-6-17-7-5-14/h2-3,8H,4-7H2,1H3
InChI Key:
LONVZHSFEFHYQY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)ccc1N1CCOCC1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.096g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.246g/mol
Monoisotopic Mass:
239.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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