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81439-58-9 | Phosphonic acid, [[(4-methoxyphenyl)amino]methyl]-, diethyl ester
CAS No: 81439-58-9 Catalog No: AG005KK2 MDL No:
Product Description
Catalog Number:
AG005KK2
Chemical Name:
Phosphonic acid, [[(4-methoxyphenyl)amino]methyl]-, diethyl ester
CAS Number:
81439-58-9
Molecular Formula:
C12H20NO4P
Molecular Weight:
273.2653
IUPAC Name:
N-(diethoxyphosphorylmethyl)-4-methoxyaniline
InChI:
InChI=1S/C12H20NO4P/c1-4-16-18(14,17-5-2)10-13-11-6-8-12(15-3)9-7-11/h6-9,13H,4-5,10H2,1-3H3
InChI Key:
KAWHJXDYHGZXMZ-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CNc1ccc(cc1)OC)OCC
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.113g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.269g/mol
Monoisotopic Mass:
273.113g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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