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28612-47-7 | L-Tyrosine, 3-iodo-5-nitro- (9CI)
CAS No: 28612-47-7 Catalog No: AG002VVX MDL No:
Product Description
Catalog Number:
AG002VVX
Chemical Name:
L-Tyrosine, 3-iodo-5-nitro- (9CI)
CAS Number:
28612-47-7
Molecular Formula:
C9H9IN2O5
Molecular Weight:
352.0826
IUPAC Name:
2-amino-3-(4-hydroxy-3-iodo-5-nitrophenyl)propanoic acid
InChI:
InChI=1S/C9H9IN2O5/c10-5-1-4(2-6(11)9(14)15)3-7(8(5)13)12(16)17/h1,3,6,13H,2,11H2,(H,14,15)
InChI Key:
XSSBNPSCHWGIBA-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)O)Cc1cc(I)c(c(c1)[N+](=O)[O-])O
NSC Number:
37412
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.956g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
352.084g/mol
Monoisotopic Mass:
351.956g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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