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Home > Fluorides > 115820-04-7
115820-04-7 | L-Phenylalanine, 4-iodo-N-(trifluoroacetyl)- (9CI)
CAS No: 115820-04-7 Catalog No: AG000GWT MDL No:
Product Description
Catalog Number:
AG000GWT
Chemical Name:
L-Phenylalanine, 4-iodo-N-(trifluoroacetyl)- (9CI)
CAS Number:
115820-04-7
Molecular Formula:
C11H9F3INO3
Molecular Weight:
387.0937
IUPAC Name:
(2S)-3-(4-iodophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
InChI:
InChI=1S/C11H9F3INO3/c12-11(13,14)10(19)16-8(9(17)18)5-6-1-3-7(15)4-2-6/h1-4,8H,5H2,(H,16,19)(H,17,18)/t8-/m0/s1
InChI Key:
FDXXWODRLVQIOO-QMMMGPOBSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(cc1)I)NC(=O)C(F)(F)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
386.958g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.097g/mol
Monoisotopic Mass:
386.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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