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Home > Indoles and Oxindole > 70966-80-2
70966-80-2 | 1,2,4,5-Tetrazino[6,1-a]isoindol-6(2H)-one, 3-methyl-10-nitro-
CAS No: 70966-80-2 Catalog No: AG005FK1 MDL No:
Product Description
Catalog Number:
AG005FK1
Chemical Name:
1,2,4,5-Tetrazino[6,1-a]isoindol-6(2H)-one, 3-methyl-10-nitro-
CAS Number:
70966-80-2
Molecular Formula:
C10H7N5O3
Molecular Weight:
245.1943
IUPAC Name:
3-methyl-10-nitro-[1,2,4,5]tetrazino[1,6-b]isoindol-6-ol
InChI:
InChI=1S/C10H7N5O3/c1-5-11-12-9-8-6(10(16)14(9)13-5)3-2-4-7(8)15(17)18/h2-4,16H,1H3
InChI Key:
INHQSGKHCZILJL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c1n[nH]c(nn1c2=O)C
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.198g/mol
Monoisotopic Mass:
245.055g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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