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Home > Indoles and Oxindole > 1256961-21-3
1256961-21-3 | 2-ethyl-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS No: 1256961-21-3 Catalog No: AG01DRNL MDL No:MFCD28366424
Product Description
Catalog Number:
AG01DRNL
Chemical Name:
2-ethyl-4-nitro-2,3-dihydro-1H-isoindol-1-one
CAS Number:
1256961-21-3
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD28366424
IUPAC Name:
2-ethyl-4-nitro-3H-isoindol-1-one
InChI:
InChI=1S/C10H10N2O3/c1-2-11-6-8-7(10(11)13)4-3-5-9(8)12(14)15/h3-5H,2,6H2,1H3
InChI Key:
MTCQWJLNHOOGTI-UHFFFAOYSA-N
SMILES:
CCN1Cc2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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