tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate


Chemical Name: tert-butyl 5-nitro-1,3-dihydroisoindole-2-carboxylate
CAS Number: 400727-63-1
Product Number: AG00C782(AGN-PC-00ZMHG)
Synonyms:
MDL No:
Molecular Formula: C13H16N2O4
Molecular Weight: 264.2771

Identification/Properties


Properties
MP:
159-162℃
BP:
381.655°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
264.281g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
264.111g/mol
Monoisotopic Mass:
264.111g/mol
Topological Polar Surface Area:
75.4A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
372
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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