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Home > Fluorides > 141579-54-6
141579-54-6 | Urea, N-[3-[3-(4-fluorophenoxy)phenyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-
CAS No: 141579-54-6 Catalog No: AG001GM8 MDL No:
Product Description
Catalog Number:
AG001GM8
Chemical Name:
Urea, N-[3-[3-(4-fluorophenoxy)phenyl]-1-methyl-2-propyn-1-yl]-N-hydroxy-
CAS Number:
141579-54-6
Molecular Formula:
C17H15FN2O3
Molecular Weight:
314.3110
IUPAC Name:
1-[4-[3-(4-fluorophenoxy)phenyl]but-3-yn-2-yl]-1-hydroxyurea
InChI:
InChI=1S/C17H15FN2O3/c1-12(20(22)17(19)21)5-6-13-3-2-4-16(11-13)23-15-9-7-14(18)8-10-15/h2-4,7-12,22H,1H3,(H2,19,21)
InChI Key:
MWXPQCKCKPYBDR-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Oc1cccc(c1)C#CC(N(C(=O)N)O)C
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.107g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.316g/mol
Monoisotopic Mass:
314.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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