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Home > Indoles and Oxindole > 39519-91-0
39519-91-0 | 2,4-dimethyl-7-nitro-1h-isoindole-1,3(2h)-dione
CAS No: 39519-91-0 Catalog No: AG0078KS MDL No:
Product Description
Catalog Number:
AG0078KS
Chemical Name:
2,4-dimethyl-7-nitro-1h-isoindole-1,3(2h)-dione
CAS Number:
39519-91-0
Molecular Formula:
C10H8N2O4
Molecular Weight:
220.1815
IUPAC Name:
2,4-dimethyl-7-nitroisoindole-1,3-dione
InChI:
InChI=1S/C10H8N2O4/c1-5-3-4-6(12(15)16)8-7(5)9(13)11(2)10(8)14/h3-4H,1-2H3
InChI Key:
FTIPGODWUMZZNZ-UHFFFAOYSA-N
SMILES:
CN1C(=O)c2c(C1=O)c(C)ccc2[N+](=O)[O-]
NSC Number:
158255
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.048g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.184g/mol
Monoisotopic Mass:
220.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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