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Home > Indoles and Oxindole > 6637-55-4
6637-55-4 | 1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro-
CAS No: 6637-55-4 Catalog No: AG006MSF MDL No:
Product Description
Catalog Number:
AG006MSF
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-acetyl-4-nitro-
CAS Number:
6637-55-4
Molecular Formula:
C10H6N2O5
Molecular Weight:
234.1650
IUPAC Name:
2-acetyl-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C10H6N2O5/c1-5(13)11-9(14)6-3-2-4-7(12(16)17)8(6)10(11)15/h2-4H,1H3
InChI Key:
NOVSWSHOJUDPRJ-UHFFFAOYSA-N
SMILES:
CC(=O)N1C(=O)c2c(C1=O)c(ccc2)[N+](=O)[O-]
NSC Number:
52672
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.167g/mol
Monoisotopic Mass:
234.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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