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127825-05-2 | Phosphonic acid, P-[amino(4-methoxyphenyl)methyl]-, diphenyl ester
CAS No: 127825-05-2 Catalog No: AG000XGR MDL No:
Product Description
Catalog Number:
AG000XGR
Chemical Name:
Phosphonic acid, P-[amino(4-methoxyphenyl)methyl]-, diphenyl ester
CAS Number:
127825-05-2
Molecular Formula:
C20H20NO4P
Molecular Weight:
369.3509
IUPAC Name:
diphenoxyphosphoryl-(4-methoxyphenyl)methanamine
InChI:
InChI=1S/C20H20NO4P/c1-23-17-14-12-16(13-15-17)20(21)26(22,24-18-8-4-2-5-9-18)25-19-10-6-3-7-11-19/h2-15,20H,21H2,1H3
InChI Key:
DLBAZPFQAGPFNM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(P(=O)(Oc1ccccc1)Oc1ccccc1)N
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.113g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.357g/mol
Monoisotopic Mass:
369.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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