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107082-23-5 | N-(3-(4-Azido-3-iodophenyl)propionyl)succinimide
CAS No: 107082-23-5 Catalog No: AG007B6H MDL No:
Product Description
Catalog Number:
AG007B6H
Chemical Name:
N-(3-(4-Azido-3-iodophenyl)propionyl)succinimide
CAS Number:
107082-23-5
Molecular Formula:
C13H11IN4O3
Molecular Weight:
398.1559
IUPAC Name:
1-[3-(4-azido-3-iodophenyl)propanoyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C13H11IN4O3/c14-9-7-8(1-3-10(9)16-17-15)2-4-11(19)18-12(20)5-6-13(18)21/h1,3,7H,2,4-6H2
InChI Key:
JXKUDHXPDZKSAG-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1I)CCC(=O)N1C(=O)CCC1=O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.988g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.16g/mol
Monoisotopic Mass:
397.988g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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