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99298-06-3 | 2,5-Pyrrolidinedione, 1-[(4-azido-2-hydroxy-5-iodobenzoyl)oxy]-
CAS No: 99298-06-3 Catalog No: AG00665E MDL No:
Product Description
Catalog Number:
AG00665E
Chemical Name:
2,5-Pyrrolidinedione, 1-[(4-azido-2-hydroxy-5-iodobenzoyl)oxy]-
CAS Number:
99298-06-3
Molecular Formula:
C11H7IN4O5
Molecular Weight:
402.1015
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 4-azido-2-hydroxy-5-iodobenzoate
InChI:
InChI=1S/C11H7IN4O5/c12-6-3-5(8(17)4-7(6)14-15-13)11(20)21-16-9(18)1-2-10(16)19/h3-4,17H,1-2H2
InChI Key:
LKYHKIASAGJOIQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc(O)c(cc1I)C(=O)ON1C(=O)CCC1=O
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.946g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.104g/mol
Monoisotopic Mass:
401.946g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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