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7236-88-6 | Diethyl phenyl(phenylamino)methylphosphonate
CAS No: 7236-88-6 Catalog No: AG01FAS7 MDL No:
Product Description
Catalog Number:
AG01FAS7
Chemical Name:
Diethyl phenyl(phenylamino)methylphosphonate
CAS Number:
7236-88-6
Molecular Formula:
C17H22NO3P
Molecular Weight:
319.3352
IUPAC Name:
N-[diethoxyphosphoryl(phenyl)methyl]aniline
InChI:
InChI=1S/C17H22NO3P/c1-3-20-22(19,21-4-2)17(15-11-7-5-8-12-15)18-16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChI Key:
IKTPAIHRGPPIDW-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccccc1)Nc1ccccc1)OCC
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.134g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.341g/mol
Monoisotopic Mass:
319.134g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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