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91853-98-4 | L-Tyrosine, N-(4-azido-2-nitrophenyl)-3-iodo-
CAS No: 91853-98-4 Catalog No: AG006POB MDL No:
Product Description
Catalog Number:
AG006POB
Chemical Name:
L-Tyrosine, N-(4-azido-2-nitrophenyl)-3-iodo-
CAS Number:
91853-98-4
Molecular Formula:
C15H12IN5O5
Molecular Weight:
469.1907
IUPAC Name:
2-(4-azido-2-nitroanilino)-3-(4-hydroxy-3-iodophenyl)propanoic acid
InChI:
InChI=1S/C15H12IN5O5/c16-10-5-8(1-4-14(10)22)6-12(15(23)24)18-11-3-2-9(19-20-17)7-13(11)21(25)26/h1-5,7,12,18,22H,6H2,(H,23,24)
InChI Key:
OWWLWNZCMHERDY-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(c(c1)[N+](=O)[O-])N[C@H](C(=O)O)Cc1ccc(c(c1)I)O
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.988g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
469.195g/mol
Monoisotopic Mass:
468.988g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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