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160092-81-9 | Benzoic acid, 4-[[(dimethoxyphosphinyl)-3-pyridinylmethyl]amino]-, ethyl ester
CAS No: 160092-81-9 Catalog No: AG001RNP MDL No:
Product Description
Catalog Number:
AG001RNP
Chemical Name:
Benzoic acid, 4-[[(dimethoxyphosphinyl)-3-pyridinylmethyl]amino]-, ethyl ester
CAS Number:
160092-81-9
Molecular Formula:
C17H21N2O5P
Molecular Weight:
364.3328
IUPAC Name:
ethyl 4-[[dimethoxyphosphoryl(pyridin-3-yl)methyl]amino]benzoate
InChI:
InChI=1S/C17H21N2O5P/c1-4-24-17(20)13-7-9-15(10-8-13)19-16(25(21,22-2)23-3)14-6-5-11-18-12-14/h5-12,16,19H,4H2,1-3H3
InChI Key:
SHBGHDUYLDBASB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)NC(P(=O)(OC)OC)c1cccnc1
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.119g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.338g/mol
Monoisotopic Mass:
364.119g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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