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827320-99-0 | Phosphonic acid, [(2R)-2-amino-2-(2-bromophenyl)ethyl]-, diethyl ester
CAS No: 827320-99-0 Catalog No: AG004UX5 MDL No:
Product Description
Catalog Number:
AG004UX5
Chemical Name:
Phosphonic acid, [(2R)-2-amino-2-(2-bromophenyl)ethyl]-, diethyl ester
CAS Number:
827320-99-0
Molecular Formula:
C12H19BrNO3P
Molecular Weight:
336.1619
IUPAC Name:
(1R)-1-(2-bromophenyl)-2-diethoxyphosphorylethanamine
InChI:
InChI=1S/C12H19BrNO3P/c1-3-16-18(15,17-4-2)9-12(14)10-7-5-6-8-11(10)13/h5-8,12H,3-4,9,14H2,1-2H3/t12-/m0/s1
InChI Key:
AVCYBNMHTXZKSC-LBPRGKRZSA-N
SMILES:
CCOP(=O)(C[C@@H](c1ccccc1Br)N)OCC
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
335.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.166g/mol
Monoisotopic Mass:
335.029g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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