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Home > Nitro Compounds > 1311315-45-3
1311315-45-3 | 11-nitro-8lambda6-thia-2,3,5,7-tetraazatricyclo[7.4.0.0,2,6]trideca-1(13),3,5,9,11-pentaene-8,8-dione
CAS No: 1311315-45-3 Catalog No: AG01AH90 MDL No:MFCD18785458
Product Description
Catalog Number:
AG01AH90
Chemical Name:
11-nitro-8lambda6-thia-2,3,5,7-tetraazatricyclo[7.4.0.0,2,6]trideca-1(13),3,5,9,11-pentaene-8,8-dione
CAS Number:
1311315-45-3
Molecular Formula:
C8H5N5O4S
Molecular Weight:
267.2214
MDL Number:
MFCD18785458
IUPAC Name:
7-nitro-4H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazine 5,5-dioxide
InChI:
InChI=1S/C8H5N5O4S/c14-13(15)5-1-2-6-7(3-5)18(16,17)11-8-9-4-10-12(6)8/h1-4H,(H,9,10,11)
InChI Key:
OGPCFMYIPOQMOO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)S(=O)(=O)Nc1n2ncn1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.006g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.219g/mol
Monoisotopic Mass:
267.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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