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Home > Indoles and Oxindole > 66917-06-4
66917-06-4 | 2-(4-Azidobutyl)isoindoline-1,3-dione-A3913
CAS No: 66917-06-4 Catalog No: AG019G6I MDL No:MFCD25966006
Product Description
Catalog Number:
AG019G6I
Chemical Name:
2-(4-Azidobutyl)isoindoline-1,3-dione-A3913
CAS Number:
66917-06-4
Molecular Formula:
C12H12N4O2
Molecular Weight:
244.2493
MDL Number:
MFCD25966006
IUPAC Name:
2-(4-azidobutyl)isoindole-1,3-dione
InChI:
InChI=1S/C12H12N4O2/c13-15-14-7-3-4-8-16-11(17)9-5-1-2-6-10(9)12(16)18/h1-2,5-6H,3-4,7-8H2
InChI Key:
ORKCIOAZJQNDJI-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NCCCCN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.254g/mol
Monoisotopic Mass:
244.096g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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