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141380-76-9 | Phosphonic acid, [(4-fluorophenyl)(phenylamino)methyl]-, dimethyl ester (9CI)
CAS No: 141380-76-9 Catalog No: AG001GBW MDL No:
Product Description
Catalog Number:
AG001GBW
Chemical Name:
Phosphonic acid, [(4-fluorophenyl)(phenylamino)methyl]-, dimethyl ester (9CI)
CAS Number:
141380-76-9
Molecular Formula:
C15H17FNO3P
Molecular Weight:
309.2725
IUPAC Name:
N-[dimethoxyphosphoryl-(4-fluorophenyl)methyl]aniline
InChI:
InChI=1S/C15H17FNO3P/c1-19-21(18,20-2)15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11,15,17H,1-2H3
InChI Key:
ULKSWKOFFFYYPG-UHFFFAOYSA-N
SMILES:
COP(=O)(C(c1ccc(cc1)F)Nc1ccccc1)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.093g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.277g/mol
Monoisotopic Mass:
309.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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