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827321-01-7 | Phosphonic acid, [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester
CAS No: 827321-01-7 Catalog No: AG004ZWA MDL No:
Product Description
Catalog Number:
AG004ZWA
Chemical Name:
Phosphonic acid, [(2R)-2-amino-2-(4-fluorophenyl)ethyl]-, diethyl ester
CAS Number:
827321-01-7
Molecular Formula:
C12H19FNO3P
Molecular Weight:
275.2563
IUPAC Name:
(1R)-2-diethoxyphosphoryl-1-(4-fluorophenyl)ethanamine
InChI:
InChI=1S/C12H19FNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-5-7-11(13)8-6-10/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m0/s1
InChI Key:
AIZUXIQBECAPIH-LBPRGKRZSA-N
SMILES:
CCOP(=O)(C[C@@H](c1ccc(cc1)F)N)OCC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
275.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.26g/mol
Monoisotopic Mass:
275.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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