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Home > Nitro Compounds > 189080-79-3
189080-79-3 | Thiazole, 5-nitro-2-(1,1,2-trimethyl-2-nitropropyl)-
CAS No: 189080-79-3 Catalog No: AG002HTS MDL No:
Product Description
Catalog Number:
AG002HTS
Chemical Name:
Thiazole, 5-nitro-2-(1,1,2-trimethyl-2-nitropropyl)-
CAS Number:
189080-79-3
Molecular Formula:
C9H13N3O4S
Molecular Weight:
259.2822
IUPAC Name:
2-(2,3-dimethyl-3-nitrobutan-2-yl)-5-nitro-1,3-thiazole
InChI:
InChI=1S/C9H13N3O4S/c1-8(2,9(3,4)12(15)16)7-10-5-6(17-7)11(13)14/h5H,1-4H3
InChI Key:
SKLRLNYNYNBRHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)C(C([N+](=O)[O-])(C)C)(C)C
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.28g/mol
Monoisotopic Mass:
259.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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