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52319-97-8 | 5-tert-Butyl-1,3-diiminoisoindoline
CAS No: 52319-97-8 Catalog No: AG003MYL MDL No:
Product Description
Catalog Number:
AG003MYL
Chemical Name:
5-tert-Butyl-1,3-diiminoisoindoline
CAS Number:
52319-97-8
IUPAC Name:
5-tert-butyl-3-iminoisoindol-1-amine
InChI:
InChI=1S/C12H15N3/c1-12(2,3)7-4-5-8-9(6-7)11(14)15-10(8)13/h4-6H,1-3H3,(H3,13,14,15)
InChI Key:
QFTATDRGOXHSPJ-UHFFFAOYSA-N
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.127g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.273g/mol
Monoisotopic Mass:
201.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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