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20704-71-6 | L-Phenylalanine, 3,5-diiodo-
CAS No: 20704-71-6 Catalog No: AG002ITS MDL No:MFCD00068244
Product Description
Catalog Number:
AG002ITS
Chemical Name:
L-Phenylalanine, 3,5-diiodo-
CAS Number:
20704-71-6
Molecular Formula:
C9H9I2NO2
Molecular Weight:
416.9822
MDL Number:
MFCD00068244
IUPAC Name:
(2S)-2-amino-3-(3,5-diiodophenyl)propanoic acid
InChI:
InChI=1S/C9H9I2NO2/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8H,3,12H2,(H,13,14)/t8-/m0/s1
InChI Key:
KXKMQPXOODBCQI-QMMMGPOBSA-N
SMILES:
N[C@H](C(=O)O)Cc1cc(I)cc(c1)I
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
416.872g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.985g/mol
Monoisotopic Mass:
416.872g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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